1329340

Source:http://linkedlifedata.com/resource/chembl/compound/1329340

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C21H19ClN4/c1-3-25-13-24-20(23)19-18(15-6-8-16(22)9-7-15)12-26(21(19)25)17-10-4-14(2)5-11-17/h4-13,23H,3H2,1-2H3/p+1
chemicalCompound:standardIn...	OBGNNIPYXMQLRW-UHFFFAOYSA-O
chemicalCompound:canonicalS...	CC[n+]1cnc(N)c2c(cn(c3ccc(C)cc3)c12)c4ccc(Cl)cc4
chemicalCompound:molecularF...	C21H20ClN4
chemicalCompound:moleculeId	1329340
chemicalCompound:mwFreebase	363.863
chemicalCompound:alogp	4.992
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	47.72
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	363.863
chemicalCompound:chemblId	CHEMBL2008089
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1429340
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No