1249701

Source:http://linkedlifedata.com/resource/chembl/compound/1249701

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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/C16H15Cl2N3O/c1-8-11(6-19)14(10-4-3-9(17)5-13(10)18)12-7-21(2)16(22)15(12)20-8/h3-5H,6-7,19H2,1-2H3
chemicalCompound:standardIn...	MPQHCJTZWVZDFD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1Cc2c(nc(C)c(CN)c2c3ccc(Cl)cc3Cl)C1=O
chemicalCompound:molecularF...	C16H15Cl2N3O
chemicalCompound:moleculeId	1249701
chemicalCompound:mwFreebase	336.216
chemicalCompound:alogp	2.511
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	59.22
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.697
chemicalCompound:acdLogD	1.188
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	336.216
chemicalCompound:acdMostBpk...	7.321
chemicalCompound:chemblId	CHEMBL1910110
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1349701
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:7852334, activity:7852962, activity:7853000, activity:7853035, activity:7853070