70615

Source:http://linkedlifedata.com/resource/chembl/compound/70615

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C33H31ClN2O3S/c1-20-16-25-29(39-19-24-13-10-22-6-4-5-7-26(22)35-24)15-14-27-30(25)31(40-20)28(17-33(2,3)32(37)38)36(27)18-21-8-11-23(34)12-9-21/h4-15,20H,16-19H2,1-3H3,(H,37,38)
chemicalCompound:standardIn...	BPNVEWHXKSVOQN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1Cc2c(OCc3ccc4ccccc4n3)ccc5c2c(S1)c(CC(C)(C)C(=O)O)n5Cc6ccc(Cl)cc6
chemicalCompound:molecularF...	C33 H31 Cl N2 O3 S
chemicalCompound:moleculeId	70615
chemicalCompound:mwFreebase	571.129
chemicalCompound:alogp	8.41
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	89.65
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.696
chemicalCompound:acdLogP	6.619
chemicalCompound:acdLogD	3.953
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	571.129
chemicalCompound:acdMostBpk...	3.816
chemicalCompound:chemblId	CHEMBL50170
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:170615
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:590091, activity:590092, activity:1144845, activity:1144846, activity:1144847