356952

Source:http://linkedlifedata.com/resource/chembl/compound/356952

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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/C32H33N5O6S/c1-20(2)22-5-9-24(10-6-22)34-31(38)42-29-18-15-27(37-36-26-13-16-28(17-14-26)44(33,40)41)19-30(29)43-32(39)35-25-11-7-23(8-12-25)21(3)4/h5-21H,1-4H3,(H,34,38)(H,35,39)(H2,33,40,41)/b37-36+
chemicalCompound:standardIn...	JKIJGZFGVWTESY-BSRQYYOTSA-N
chemicalCompound:canonicalS...	CC(C)c1ccc(NC(=O)Oc2ccc(cc2OC(=O)Nc3ccc(cc3)C(C)C)N=Nc4ccc(cc4)S(=O)(=O)N)cc1
chemicalCompound:molecularF...	C32 H33 N5 O6 S
chemicalCompound:moleculeId	356952
chemicalCompound:mwFreebase	615.699
chemicalCompound:alogp	7.973
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	169.92
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.625
chemicalCompound:acdLogP	5.38
chemicalCompound:acdLogD	5.377
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	615.699
chemicalCompound:acdMostBpk...	0.64
chemicalCompound:chemblId	CHEMBL213939
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:456952
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:1759892, activity:1759911, activity:1759925