710

Source:http://linkedlifedata.com/resource/chembl/compound/710

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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/C17H17ClN4O2S/c1-11-10-16(18)19-20-17(11)21-25(23,24)15-9-5-6-12-13(15)7-4-8-14(12)22(2)3/h4-10H,1-3H3,(H,20,21)
chemicalCompound:standardIn...	WTGLGALNVFXVHG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3nnc(Cl)cc3C
chemicalCompound:molecularF...	C17 H17 Cl N4 O2 S
chemicalCompound:moleculeId	710
chemicalCompound:mwFreebase	376.86
chemicalCompound:alogp	3.669
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	83.57
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.543
chemicalCompound:acdLogP	2.194
chemicalCompound:acdLogD	1.472
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	376.86
chemicalCompound:acdMostBpk...	3.378
chemicalCompound:chemblId	CHEMBL415106
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100710
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:453623, activity:453624