466628

Source:http://linkedlifedata.com/resource/chembl/compound/466628

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C19H16Cl2N4/c1-24-18(14-4-8-16(21)9-5-14)19(25-11-10-22-12-25)17(23-24)13-2-6-15(20)7-3-13/h2-12,18-19H,1H3/t18-,19-/m1/s1
chemicalCompound:standardIn...	UEEXZFQTYOFEMK-RTBURBONSA-N
chemicalCompound:canonicalS...	CN1N=C([C@H]([C@H]1c2ccc(Cl)cc2)n3ccnc3)c4ccc(Cl)cc4
chemicalCompound:molecularF...	C19H16Cl2N4
chemicalCompound:moleculeId	466628
chemicalCompound:mwFreebase	371.263
chemicalCompound:alogp	4.048
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	33.42
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.289
chemicalCompound:acdLogD	5.287
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	371.263
chemicalCompound:acdMostBpk...	5.891
chemicalCompound:chemblId	CHEMBL465532
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:566628
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:2215577, activity:2215597, activity:2215617