851180

Source:http://linkedlifedata.com/resource/chembl/compound/851180

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C21H31N7O3/c1-2-25-11-13-27(14-12-25)20(29)6-5-18-23-22-17-3-4-19(24-28(17)18)26-9-7-21(8-10-26)30-15-16-31-21/h3-4H,2,5-16H2,1H3
chemicalCompound:standardIn...	QAKGRWZGQIRCFO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN1CCN(CC1)C(=O)CCc2nnc3ccc(nn23)N4CCC5(CC4)OCCO5
chemicalCompound:molecularF...	C21H31N7O3
chemicalCompound:moleculeId	851180
chemicalCompound:mwFreebase	429.516
chemicalCompound:alogp	0.195
chemicalCompound:hba	8
chemicalCompound:hbd	0
chemicalCompound:psa	88.33
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	0.458
chemicalCompound:acdLogD	0.38
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	429.516
chemicalCompound:acdMostBpk...	7.266
chemicalCompound:chemblId	CHEMBL1427296
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:951180
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:5056477, activity:5413973, activity:5570658, activity:5757716, activity:5857378, activity:6595557, activity:7557454, activity:8314038