18165

Source:http://linkedlifedata.com/resource/chembl/compound/18165

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24?,25?,26?,28?,29-/m0/s1
chemicalCompound:standardIn...	VKHAHZOOUSRJNA-OZPDYWEWSA-N
chemicalCompound:canonicalS...	CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)c5ccc(cc5)N(C)C
chemicalCompound:molecularF...	C29 H35 N O2
chemicalCompound:moleculeId	18165
chemicalCompound:mwFreebase	429.594
chemicalCompound:alogp	5.655
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	40.54
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.938
chemicalCompound:acdLogP	6.193
chemicalCompound:acdLogD	6.188
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	429.594
chemicalCompound:acdMostBpk...	5.491
chemicalCompound:chemblId	CHEMBL16461
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:118165
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:443298, activity:443299, activity:443300, activity:443301, activity:443302, activity:443303, activity:443304, activity:443305