153881

Source:http://linkedlifedata.com/resource/chembl/compound/153881

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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/C36H36N2O5S2/c1-23-18-29-32(43-22-27-13-12-26(20-37-27)25-8-6-5-7-9-25)17-16-30-33(29)34(44-23)31(19-36(2,3)35(39)40)38(30)21-24-10-14-28(15-11-24)45(4,41)42/h5-17,20,23H,18-19,21-22H2,1-4H3,(H,39,40)
chemicalCompound:standardIn...	FCNMXSHYAFVTJJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1Cc2c(OCc3ccc(cn3)c4ccccc4)ccc5c2c(S1)c(CC(C)(C)C(=O)O)n5Cc6ccc(cc6)S(=O)(=O)C
chemicalCompound:molecularF...	C36 H36 N2 O5 S2
chemicalCompound:moleculeId	153881
chemicalCompound:mwFreebase	640.811
chemicalCompound:alogp	7.453
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	132.16
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.682
chemicalCompound:acdLogP	6.026
chemicalCompound:acdLogD	3.347
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	640.811
chemicalCompound:acdMostBpk...	3.626
chemicalCompound:chemblId	CHEMBL450016
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:253881
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:1152477, activity:1152478