950880

Source:http://linkedlifedata.com/resource/chembl/compound/950880

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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/C18H21N3O4/c1-11-15(22)16(23)17(24)18(25-11)19-12-7-9-14(10-8-12)21-20-13-5-3-2-4-6-13/h2-11,15-19,22-24H,1H3/t11-,15-,16+,17+,18?/m0/s1
chemicalCompound:standardIn...	XGASUXNFWLJGAS-WTGNNUFRSA-N
chemicalCompound:canonicalS...	C[C@@H]1OC(Nc2ccc(cc2)N=Nc3ccccc3)[C@H](O)[C@H](O)[C@H]1O
chemicalCompound:molecularF...	C18H21N3O4
chemicalCompound:moleculeId	950880
chemicalCompound:mwFreebase	343.377
chemicalCompound:alogp	2.74
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	106.67
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.245
chemicalCompound:acdLogP	1.345
chemicalCompound:acdLogD	1.345
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	343.377
chemicalCompound:acdMostBpk...	0.776
chemicalCompound:chemblId	CHEMBL1526996
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1050880
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:3835167, activity:4013277, activity:4281503, activity:4514268, activity:4693453, activity:4740110, activity:4914780, activity:5012735, activity:5029077, activity:5335660, activity:5357537, activity:5399435, activity:5588895, activity:5801952, activity:6559647, activity:7177095, activity:7410940