955748

Source:http://linkedlifedata.com/resource/chembl/compound/955748

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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:6772
chemicalCompound:standardIn...	InChI=1S/C19H21N5O2.2ClH/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24;;/h2-8H,9-13H2,1H3,(H,21,26);2*1H
chemicalCompound:standardIn...	FFNMBRCFFADNAO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cl.CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc4cccnc24)CC1
chemicalCompound:molecularF...	C19H23Cl2N5O2
chemicalCompound:moleculeId	955748
chemicalCompound:mwFreebase	351.402
chemicalCompound:alogp	1.039
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	68.78
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.287
chemicalCompound:acdLogP	0.209
chemicalCompound:acdLogD	-0.075
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	424.324
chemicalCompound:acdMostBpk...	7.387
chemicalCompound:chemblId	CHEMBL1531864
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1055748
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:32014
chemicalCompound:activity	activity:3651747, activity:4538254, activity:4715401, activity:5061304, activity:5724726, activity:6832149, activity:7015934, activity:7451963