972951

Source:http://linkedlifedata.com/resource/chembl/compound/972951

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1047385
chemicalCompound:standardIn...	InChI=1S/C25H26N4O3.ClH/c1-27-11-13-28(14-12-27)24(30)10-8-20-18-29(21-5-3-2-4-6-21)26-25(20)19-7-9-22-23(17-19)32-16-15-31-22;/h2-10,17-18H,11-16H2,1H3;1H/b10-8+;
chemicalCompound:standardIn...	QWBWDIJYJNDZMC-VRTOBVRTSA-N
chemicalCompound:canonicalS...	Cl.CN1CCN(CC1)C(=O)\C=C\c2cn(nc2c3ccc4OCCOc4c3)c5ccccc5
chemicalCompound:molecularF...	C25H27ClN4O3
chemicalCompound:moleculeId	972951
chemicalCompound:mwFreebase	430.499
chemicalCompound:alogp	3.628
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	59.83
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.68
chemicalCompound:acdLogD	1.601
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	466.96
chemicalCompound:acdMostBpk...	6.746
chemicalCompound:chemblId	CHEMBL1549067
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1072951
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:3733218, activity:4290116, activity:4586494, activity:5747285, activity:5822555, activity:5935558, activity:6680416, activity:7124095, activity:7358755, activity:7445180, activity:8995633, activity:9693753