77180

Source:http://linkedlifedata.com/resource/chembl/compound/77180

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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/C21H29NO2/c1-4-5-15-10-16(23)13-21-8-9-22(2)19(20(15)21)11-14-6-7-17(24-3)12-18(14)21/h6-7,12,15,19-20H,4-5,8-11,13H2,1-3H3/t15-,19?,20-,21?/m0/s1
chemicalCompound:standardIn...	JMRCYEFEEQSEKU-QOLSWGAYSA-N
chemicalCompound:canonicalS...	CCC[C@H]1CC(=O)CC23CCN(C)C(Cc4ccc(OC)cc24)[C@H]13
chemicalCompound:molecularF...	C21 H29 N O2
chemicalCompound:moleculeId	77180
chemicalCompound:mwFreebase	327.46
chemicalCompound:alogp	3.415
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	29.54
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.846
chemicalCompound:acdLogD	3.395
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	327.46
chemicalCompound:acdMostBpk...	8.845
chemicalCompound:chemblId	CHEMBL51294
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:177180
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:875124, activity:875125