200152

Source:http://linkedlifedata.com/resource/chembl/compound/200152

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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/C25H25NO3/c1-28-21-13-9-19(10-14-21)24-23(17-8-18-6-4-3-5-7-18)25(27)26(24)20-11-15-22(29-2)16-12-20/h3-7,9-16,23-24H,8,17H2,1-2H3/t23-,24-/m1/s1
chemicalCompound:standardIn...	SMOUNDZNRLXRCN-DNQXCXABSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)[C@@H]2[C@@H](CCc3ccccc3)C(=O)N2c4ccc(OC)cc4
chemicalCompound:molecularF...	C25 H25 N O3
chemicalCompound:moleculeId	200152
chemicalCompound:mwFreebase	387.471
chemicalCompound:alogp	5.077
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	38.77
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.443
chemicalCompound:acdLogD	5.443
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	387.471
chemicalCompound:acdMostBpk...	0.255
chemicalCompound:chemblId	CHEMBL331454
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:300152
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:1201266, activity:1201267