341750 <common-name>(2r)-2-[(6-carbamoyl-7-methoxyquinolin-4-yl)amino]-3-(6-carbamoyl-7-methoxyquinolin-4-yl)sulfanylpropanoic acid</common-name> <description>(2r)-2-[(6-carbamoyl-7-methoxyquinolin-4-yl)amino]-3-(6-carbamoyl-7-methoxyquinolin-4-yl)sulfanylpropanoic acid has the chemical formula C25H23N5O6S. With an average molecular weight of 521.50 g/mol, (2r)-2-[(6-carbamoyl-7-methoxyquinolin-4-yl)amino]-3-(6-carbamoyl-7-methoxyquinolin-4-yl)sulfanylpropanoic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>118753341</pubchem-id> <chemical-formula>C25H23N5O6S</chemical-formula> <weight>521.5</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">2026-08-31T02:22:01Z</created-at> <updated-at type="dateTime">2026-08-31T02:22:01Z</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 nil="true"/> <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>COC1=CC2=NC=CC(=C2C=C1C(=O)N)NC(CSC3=C4C=C(C(=CC4=NC=C3)OC)C(=O)N)C(=O)O</moldb-smiles> <moldb-formula>C25H23N5O6S</moldb-formula> <moldb-inchi>InChI=1S/C25H23N5O6S/c1-35-20-9-17-12(7-14(20)23(26)31)16(3-5-28-17)30-19(25(33)34)11-37-22-4-6-29-18-10-21(36-2)15(24(27)32)8-13(18)22/h3-10,19H,11H2,1-2H3,(H2,26,31)(H2,27,32)(H,28,30)(H,33,34)/t19-/m0/s1</moldb-inchi> <moldb-inchikey>KCWOKPSYUUGOBQ-IBGZPJMESA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">521.1369046</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2</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>CHEM337643</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>(2r)-2-[(6-carbamoyl-7-methoxyquinolin-4-yl)amino]-3-(6-carbamoyl-7-methoxyquinolin-4-yl)sulfanylpropanoic acid</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>Organoheterocyclic compounds</superklass> <klass>Quinolines and derivatives</klass> <subklass>Quinoline carboxamides</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0292146</sync-id> <structure-inchikey>KCWOKPSYUUGOBQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800001000800000800000000000000000000000000400000000000000400000004000000002004000000000000000000000000000000000000000000000000000000000020000020000040002100000000008000000000081000010000000040000000100000001000000000000000000000000000004000000040000000044000000002000080001000000000000080000012000000000000000000008000048000080000000000800000080000000000000000000080000000000000000000008004000000001040000000000020000200000000000000000000080800002040000000000400800000000020000100000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������%���(���€���`�������(������@(������@h�������@(������@(������@h�������@h�������@(������@(������@h�������@(�������(�������(�������h��������h��������`�������`������� �����@(������@(������@h�������@(������@(������@h�������@(������@(������@h�������@h��������(�������`�������(�������(�������h��������(�������(�������h������������ ��h���h���h���h���h���h�� h� h� �h��� � (��� �� ��������������h���h���h���h���h���h���h���h���h��� ����� � (��! �"�"#(�"$ ��h� �h���h���h�B������� ������� �������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:41:36Z</structure-indexed-at> </compound>