650912

Source:http://linkedlifedata.com/resource/chembl/compound/650912

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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:674238
chemicalCompound:standardIn...	InChI=1S/C33H41ClN4O.ClH/c34-28-22-24(33(39)32-25(28)16-13-21-37-32)23-35-19-11-5-3-1-2-4-6-12-20-36-31-26-14-7-9-17-29(26)38-30-18-10-8-15-27(30)31;/h7,9,13-14,16-17,21-22,35,39H,1-6,8,10-12,15,18-20,23H2,(H,36,38);1H
chemicalCompound:standardIn...	MUNHULZQPQENEM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Oc1c(CNCCCCCCCCCCNc2c3CCCCc3nc4ccccc24)cc(Cl)c5cccnc15
chemicalCompound:molecularF...	C33H42Cl2N4O
chemicalCompound:moleculeId	650912
chemicalCompound:mwFreebase	545.158
chemicalCompound:alogp	8.519
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	70.07
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	8.147
chemicalCompound:acdLogD	5.277
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	581.619
chemicalCompound:acdMostBpk...	9.104
chemicalCompound:chemblId	CHEMBL1173556
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:750912
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:3364334, activity:3364352, activity:3364390