<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">139616</id>
  <title nil="true"/>
  <common-name>Rencofilstat</common-name>
  <description>Rencofilstat belongs to the peptoid-peptide hybrids, a subclass of peptidomimetics within the organic compounds. It is categorized under the superclass of organic acids and derivatives and has the formula C67H122N12O13. With an average molecular weight of 1,304 g/mol, Rencofilstat is a heavy molecule.</description>
  <cas>1383420-08-3</cas>
  <pubchem-id>134812041</pubchem-id>
  <chemical-formula>C67H122N12O13</chemical-formula>
  <weight>1303.8</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-04-14T22:02:54Z</created-at>
  <updated-at type="dateTime">2026-08-23T03:16:51Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB18246</drugbank-id>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[H][C@@]1([C@H](O)[C@H](C)CCCCCCNC(C)=O)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](CC)NC1=O)C(C)C</moldb-smiles>
  <moldb-formula>C67H122N12O13</moldb-formula>
  <moldb-inchi>InChI=1S/C67H122N12O13/c1-26-48-63(88)73(19)46(17)62(87)74(20)50(34-38(4)5)59(84)72-53(41(10)11)66(91)75(21)49(33-37(2)3)58(83)69-44(15)57(82)70-45(16)61(86)76(22)51(35-39(6)7)64(89)77(23)52(36-40(8)9)65(90)78(24)54(42(12)13)67(92)79(25)55(60(85)71-48)56(81)43(14)31-29-27-28-30-32-68-47(18)80/h37-46,48-56,81H,26-36H2,1-25H3,(H,68,80)(H,69,83)(H,70,82)(H,71,85)(H,72,84)/t43-,44+,45-,46-,48+,49+,50+,51+,52+,53+,54+,55+,56-/m1/s1</moldb-inchi>
  <moldb-inchikey>KBARHGHBFILILC-NGIJKBHDSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1303.784</moldb-average-mass>
  <moldb-mono-mass type="decimal">1302.925432036</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.73</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM135509</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>N-[(7R,8R)-8-[(2S,5S,8R,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2-yl]-8-hydroxy-7-methyloctyl]acetamide</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Peptidomimetics</klass>
  <subklass>Peptoid-peptide hybrids</subklass>
  <paper-count type="integer">38</paper-count>
  <sync-id>CED0025219</sync-id>
  <structure-inchikey>KBARHGHBFILILC-NGIJKBHDSA-N</structure-inchikey>
  <structure-fingerprint>44001000020100000000800004001002000000008000000004000010100004240004001002040020000100080000200000000000000000000000000800000000000000000080000200008000000000000020801010000000000000101104000000000000010000000000000000020004000001000300000000100000000000500020000040000000000000220000014080000000020000000200000800000000100000040000000000000004080000000000000000020000000001002008000000000000000000000000080000000002000800400000020000000000000001400000000001000100000008000000010400000000000000000000008000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������\���\���€�� 4������� 4��������`������ 4��������`�������`�������`�������`�������`�������`�������`�������h��������(�������`�������(�������(�������`�������(�������(������ 4��������`�������`�������`�������(�������`�������(�������(������ 4��������`�������`�������`�������`�������(�������`�������(�������(������ 4��������`�������`�������`�������`�������(�������`�������(�������(������ 4��������`�������h��������(�������(������ 4��������`�������h��������(�������(������ 4��������`�������`�������`�������`�������(�������`�������(�������(������ 4��������h��������(�������(������ 4��������`�������`�������`�������`�������(�������`�������(�������(������ 4��������`�������(�������`�������(�������(������ 4��������`�������`�������h��������(�������(�������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:51:03Z</structure-indexed-at>
</compound>
