1274170

Source:http://linkedlifedata.com/resource/chembl/compound/1274170

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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:1284832
chemicalCompound:standardIn...	InChI=1S/C22H35ClN8.ClH/c1-4-5-6-11-24-20-26-21(25-19-9-7-18(23)8-10-19)28-22(27-20)31-16-14-30(15-17-31)13-12-29(2)3;/h7-10H,4-6,11-17H2,1-3H3,(H2,24,25,26,27,28);1H
chemicalCompound:standardIn...	WAKQYFMYGHJVTE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCCCCNc1nc(Nc2ccc(Cl)cc2)nc(n1)N3CCN(CCN(C)C)CC3
chemicalCompound:molecularF...	C22H36Cl2N8
chemicalCompound:moleculeId	1274170
chemicalCompound:mwFreebase	447.02
chemicalCompound:alogp	5.574
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	72.44
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.03
chemicalCompound:acdLogD	2.944
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	483.481
chemicalCompound:acdMostBpk...	9.5
chemicalCompound:chemblId	CHEMBL1939327
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1374170
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:7998203, activity:7999116