153970

Source:http://linkedlifedata.com/resource/chembl/compound/153970

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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/C35H33ClN2O3S/c1-22-18-27-31(41-21-26-10-7-11-28(37-26)24-8-5-4-6-9-24)17-16-29-32(27)33(42-22)30(19-35(2,3)34(39)40)38(29)20-23-12-14-25(36)15-13-23/h4-17,22H,18-21H2,1-3H3,(H,39,40)
chemicalCompound:standardIn...	SYQXGAHLSODHJW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1Cc2c(OCc3cccc(n3)c4ccccc4)ccc5c2c(S1)c(CC(C)(C)C(=O)O)n5Cc6ccc(Cl)cc6
chemicalCompound:molecularF...	C35 H33 Cl N2 O3 S
chemicalCompound:moleculeId	153970
chemicalCompound:mwFreebase	597.166
chemicalCompound:alogp	9.02
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	89.65
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.694
chemicalCompound:acdLogP	7.865
chemicalCompound:acdLogD	5.197
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	597.166
chemicalCompound:acdMostBpk...	3.171
chemicalCompound:chemblId	CHEMBL317482
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:253970
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:1171012, activity:1171013