1274171

Source:http://linkedlifedata.com/resource/chembl/compound/1274171

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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:1284774
chemicalCompound:standardIn...	InChI=1S/C22H35N9O2.ClH/c1-4-5-6-11-23-20-25-21(24-18-7-9-19(10-8-18)31(32)33)27-22(26-20)30-16-14-29(15-17-30)13-12-28(2)3;/h7-10H,4-6,11-17H2,1-3H3,(H2,23,24,25,26,27);1H
chemicalCompound:standardIn...	SBCRYYKLFDKEST-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCCCCNc1nc(Nc2ccc(cc2)[N+](=O)[O-])nc(n1)N3CCN(CCN(C)C)CC3
chemicalCompound:molecularF...	C22H36ClN9O2
chemicalCompound:moleculeId	1274171
chemicalCompound:mwFreebase	457.572
chemicalCompound:alogp	4.804
chemicalCompound:hba	10
chemicalCompound:hbd	2
chemicalCompound:psa	118.26
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.599
chemicalCompound:acdLogD	2.521
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	494.033
chemicalCompound:acdMostBpk...	9.5
chemicalCompound:chemblId	CHEMBL1939328
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1374171
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:7998204, activity:7999117