420003

Source:http://linkedlifedata.com/resource/chembl/compound/420003

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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/C17H16Cl2N4O3/c18-12-9-20-10-13(19)15(12)22-5-7-23(8-6-22)17(26)21-14-4-2-1-3-11(14)16(24)25/h1-4,9-10H,5-8H2,(H,21,26)(H,24,25)
chemicalCompound:standardIn...	FJTJOZZGBJSIHY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)c1ccccc1NC(=O)N2CCN(CC2)c3c(Cl)cncc3Cl
chemicalCompound:molecularF...	C17 H16 Cl2 N4 O3
chemicalCompound:moleculeId	420003
chemicalCompound:mwFreebase	395.24
chemicalCompound:alogp	2.589
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	85.77
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.016
chemicalCompound:acdLogP	2.992
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	395.24
chemicalCompound:acdMostBpk...	1.936
chemicalCompound:chemblId	CHEMBL252507
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:520003
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:2063408