201582

Source:http://linkedlifedata.com/resource/chembl/compound/201582

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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/c1-29-22-16-10-19(11-17-22)24-23(9-5-8-18-6-3-2-4-7-18)25(28)26(24)20-12-14-21(27)15-13-20/h2-4,6-7,10-17,23-24,27H,5,8-9H2,1H3/t23-,24-/m1/s1
chemicalCompound:standardIn...	PQCVPAJOEAOXLE-DNQXCXABSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)[C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c4ccc(O)cc4
chemicalCompound:molecularF...	C25 H25 N O3
chemicalCompound:moleculeId	201582
chemicalCompound:mwFreebase	387.471
chemicalCompound:alogp	5.307
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	49.77
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.2
chemicalCompound:acdLogP	5.807
chemicalCompound:acdLogD	5.806
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	387.471
chemicalCompound:acdMostBpk...	0.423
chemicalCompound:chemblId	CHEMBL122624
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:301582
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:128903, activity:1194856, activity:1194857