989358

Source:http://linkedlifedata.com/resource/chembl/compound/989358

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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/C22H22Cl2N4O/c1-4-5-8-28-19-11-17-16(27-22(29)20(25-17)12(2)3)10-18(19)26-21(28)13-6-7-14(23)15(24)9-13/h6-7,9-12H,4-5,8H2,1-3H3,(H,27,29)
chemicalCompound:standardIn...	AQZCQVKCVBNVSZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCn1c(nc2cc3nc(O)c(nc3cc12)C(C)C)c4ccc(Cl)c(Cl)c4
chemicalCompound:molecularF...	C22H22Cl2N4O
chemicalCompound:moleculeId	989358
chemicalCompound:mwFreebase	429.342
chemicalCompound:alogp	7.307
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	63.83
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.419
chemicalCompound:acdLogD	6.223
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	429.342
chemicalCompound:acdMostBpk...	7.003
chemicalCompound:chemblId	CHEMBL1565474
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1089358
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:4358959, activity:4412212, activity:4539765, activity:4738130, activity:5336702, activity:5560099, activity:6468203, activity:6573819, activity:6716421, activity:6737257, activity:7169079, activity:7232947