335764 <common-name>1-(4-fluorophenyl)-4-(8-methoxy-2,4,5,6-tetrahydro-1h-azepino[4,5-b]indol-3-yl)butan-1-one</common-name> <description>1-(4-fluorophenyl)-4-(8-methoxy-2,4,5,6-tetrahydro-1h-azepino[4,5-b]indol-3-yl)butan-1-one is a chemical compound with the formula C23H25FN2O2. 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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=C(C=C1)C3=C(N2)CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F</moldb-smiles> <moldb-formula>C23H25FN2O2</moldb-formula> <moldb-inchi>InChI=1S/C23H25FN2O2/c1-28-18-8-9-19-20-10-13-26(14-11-21(20)25-22(19)15-18)12-2-3-23(27)16-4-6-17(24)7-5-16/h4-9,15,25H,2-3,10-14H2,1H3</moldb-inchi> <moldb-inchikey>UOGALRAKVYLFSB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">380.1900062</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.2</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>CHEM331657</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>1-(4-fluorophenyl)-4-(8-methoxy-2,4,5,6-tetrahydro-1h-azepino[4,5-b]indol-3-yl)butan-1-one</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 oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0286230</sync-id> <structure-inchikey>UOGALRAKVYLFSB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000000090200000010000000000000000000000000000000000000000000000000220000000004000000000000000000000000000000000000000000000000000000000000000000000002400000800011000020000000000000004000001000000004000000010000000000002010000000000200000000000000000006000000000000020000000400000000000000400000000000000000000200000000000000004000008400000200000000010000000a000000000020080000008000000000000200000004000020000044000000004204200000000010000000000000000000040000000010400800400000008000000000000000004</structure-fingerprint> 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