347241 <common-name>5-(3,7-dimethyloctan-3-yl)-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one</common-name> <description>5-(3,7-dimethyloctan-3-yl)-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one is a chemical compound with the formula C27H43N3O2. It has an average molecular weight of 441.60 g/mol.</description> <cas>70537-09-6</cas> <pubchem-id>198530</pubchem-id> <chemical-formula>C27H43N3O2</chemical-formula> <weight>441.6</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">2026-08-31T10:56:57Z</created-at> <updated-at type="dateTime">2026-08-31T10:56:57Z</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>CCC(C)(CCCC(C)C)C1=C2C3=C(C=C1)N(C(C(=O)NC(CC3=CN2)CO)C(C)C)C</moldb-smiles> <moldb-formula>C27H43N3O2</moldb-formula> <moldb-inchi>InChI=1S/C27H43N3O2/c1-8-27(6,13-9-10-17(2)3)21-11-12-22-23-19(15-28-24(21)23)14-20(16-31)29-26(32)25(18(4)5)30(22)7/h11-12,15,17-18,20,25,28,31H,8-10,13-14,16H2,1-7H3,(H,29,32)</moldb-inchi> <moldb-inchikey>MVWHOFFXLAVWJV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">441.3355276</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.9</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>CHEM343134</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>5-(3,7-dimethyloctan-3-yl)-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-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 acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0297586</sync-id> <structure-inchikey>MVWHOFFXLAVWJV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000080000008000000020000000000000000000000000020100000400000010030400200000000000002000008002001000000000000000020000000000000000800000020000000001000000200000000080400000000010000000000000000300000000000000000200000000000201000000000000000000001000a0000040400000000000200000004000000000000014000000080000000000000500080000000000000000480000000000000000000000000000000008002100004000000800000000082000000000000000000004000004000200000000000000000000000100080041000000011000000000000000008004000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAgAAAAIgAAAIABBgBgAAAAAQMGAGAAAAAC AgYAIAAAAAQGAGAAAAABAwYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAA AAMBBgBgAAAAAQMGAGAAAAABAwZAKAAAAAMEBkAoAAAAAwQGQCgAAAADBAZA KAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBwAoAAAAAwMGAGAAAAADAQYAKAAA AAMECAAoAAAAAwIHAGgAAAADAgEGAGAAAAADAQYAYAAAAAICBkAoAAAAAwQG QGgAAAADAwEHQDgAAAADAQMGAGAAAAACAggAYAAAAAEBBgBgAAAAAwEGAGAA AAABAwYAYAAAAAEDBgBgAAAAAQMLAAEAAQIAAgMAAgQABAUABQYABgcABwgA BwkAAgoACgtoDAsMaAwMDWgMDQ5oDA4PaAwNECAQEQAREgASEygCEhQgFBUA FRYAFhcAFxhoDBgZaAwVGgAaGwARHAAcHQAcHgAQHwAPCmgMGQtoDBcMaAxC AwAAAAYKDw4NDAsJEA0MFxYVFBIRBRgXDAsZFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:45:48Z</structure-indexed-at> </compound>