1068573

Source:http://linkedlifedata.com/resource/chembl/compound/1068573

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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/C35H33ClFN9O4/c1-50-31(47)20-45-19-21(16-40-45)18-43-10-12-44(13-11-43)30-15-28(29(36)17-39-30)35(49)41-24-6-2-22-3-9-26-32(34(38)48)42-46(33(26)27(22)14-24)25-7-4-23(37)5-8-25/h2,4-8,14-17,19H,3,9-13,18,20H2,1H3,(H2,38,48)(H,41,49)
chemicalCompound:standardIn...	CQNOZHKESCJWOZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)Cn1cc(CN2CCN(CC2)c3cc(C(=O)Nc4ccc5CCc6c(nn(c7ccc(F)cc7)c6c5c4)C(=O)N)c(Cl)cn3)cn1
chemicalCompound:molecularF...	C35H33ClFN9O4
chemicalCompound:moleculeId	1068573
chemicalCompound:mwFreebase	698.146
chemicalCompound:alogp	5
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	153.49
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.218
chemicalCompound:acdLogP	1.004
chemicalCompound:acdLogD	0.998
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	698.146
chemicalCompound:acdMostBpk...	5.507
chemicalCompound:chemblId	CHEMBL1669596
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1168573
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:5195723, activity:5195762, activity:5195801, activity:5195857