137814 <common-name>Ningetinib</common-name> <description>Ningetinib belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. It has the chemical formula C31H29FN4O5. With an average molecular weight of 556.59 g/mol, Ningetinib is a heavy molecule. It is further classified as part of the benzenoids superclass.</description> <cas>1394820-69-9</cas> <pubchem-id>60165029</pubchem-id> <chemical-formula>C31H29FN4O5</chemical-formula> <weight>556.6</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">2026-04-14T20:42:07Z</created-at> <updated-at type="dateTime">2026-08-22T10:31:59Z</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>DB16256</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>CN1N(C(=O)C(C(=O)NC2=CC(F)=C(OC3=CC=NC4=C3C=CC(OCC(C)(C)O)=C4)C=C2)=C1C)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C31H29FN4O5</moldb-formula> <moldb-inchi>InChI=1S/C31H29FN4O5/c1-19-28(30(38)36(35(19)4)21-8-6-5-7-9-21)29(37)34-20-10-13-27(24(32)16-20)41-26-14-15-33-25-17-22(11-12-23(25)26)40-18-31(2,3)39/h5-17,39H,18H2,1-4H3,(H,34,37)</moldb-inchi> <moldb-inchikey>VQYYQSZNRVQLIS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">556.594</moldb-average-mass> <moldb-mono-mass type="decimal">556.212198213</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.89</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>CHEM133707</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-(3-fluoro-4-{[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxy}phenyl)-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Anilides</subklass> <paper-count type="integer">41</paper-count> <sync-id>CED0024701</sync-id> <structure-inchikey>VQYYQSZNRVQLIS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>50800200002000000000800000008100000000000000000000000000000020210020000002002004800008000200000000000003000080000000000000008000200000000000000020000040000110000200000000000000001000010000000010010000100000000000000100000000000000000040000000004040000000804000000000004080000000000100000000900000000000000000000000008000040000081000000000000000080000000000040000000000000000000000008000400004000000010200000000002004008200020000000000008040008000002040000000080400800040000020200000000000000000</structure-fingerprint> 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�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">2026-09-19T04:50:36Z</structure-indexed-at> </compound>