316608

Source:http://linkedlifedata.com/resource/chembl/compound/316608

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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/C21H17Cl3N4O2/c1-3-16-18-20(28(27-16)19-14(23)9-12(22)10-15(19)24)25-17(26-21(18)29)8-11-4-6-13(30-2)7-5-11/h4-7,9-10H,3,8H2,1-2H3,(H,25,26,29)
chemicalCompound:standardIn...	MYRDTGBYXRPRII-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCc1nn(c2N=C(Cc3ccc(OC)cc3)NC(=O)c12)c4c(Cl)cc(Cl)cc4Cl
chemicalCompound:molecularF...	C21H17Cl3N4O2
chemicalCompound:moleculeId	316608
chemicalCompound:mwFreebase	463.744
chemicalCompound:alogp	5.805
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	68.51
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.56
chemicalCompound:acdLogP	3.916
chemicalCompound:acdLogD	3.691
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	463.744
chemicalCompound:chemblId	CHEMBL186157
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:416608
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:1486339, activity:1486340, activity:1486341, activity:1486342