99

Source:http://linkedlifedata.com/resource/chembl/compound/99

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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/C23H25N5O4/c1-30-17-12-15-16(13-18(17)31-2)25-23(26-21(15)24)28-10-8-27(9-11-28)22(29)20-19(32-20)14-6-4-3-5-7-14/h3-7,12-13,19-20H,8-11H2,1-2H3,(H2,24,25,26)
chemicalCompound:standardIn...	HCCHLOLDFKYQCN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4OC4c5ccccc5
chemicalCompound:molecularF...	C23 H25 N5 O4
chemicalCompound:moleculeId	99
chemicalCompound:mwFreebase	435.476
chemicalCompound:alogp	1.73
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	106.34
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	0.698
chemicalCompound:acdLogD	0.644
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	435.476
chemicalCompound:acdMostBpk...	6.524
chemicalCompound:chemblId	CHEMBL415103
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100099
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:330925, activity:330926