101158

Source:http://linkedlifedata.com/resource/chembl/compound/101158

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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/C29H30N2O10/c1-12-24(33)16(31-8-7-30)9-19(40-12)41-18-11-29(38,13(2)32)10-15-21(18)28(37)23-22(26(15)35)25(34)14-5-4-6-17(39-3)20(14)27(23)36/h4-6,12,16,18-19,24,31,33,35,37-38H,8-11H2,1-3H3/t12?,16?,18-,19?,24?,29-/m0/s1
chemicalCompound:standardIn...	HXMPULXHXQNBFA-LZYOUXEBSA-N
chemicalCompound:canonicalS...	COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(NCC#N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C
chemicalCompound:molecularF...	C29 H30 N2 O10
chemicalCompound:moleculeId	101158
chemicalCompound:mwFreebase	566.556
chemicalCompound:alogp	0.79
chemicalCompound:hba	12
chemicalCompound:hbd	5
chemicalCompound:psa	195.64
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.385
chemicalCompound:acdLogP	1.091
chemicalCompound:acdLogD	0.612
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	566.556
chemicalCompound:acdMostBpk...	3.04
chemicalCompound:chemblId	CHEMBL302887
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:201158
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:1019672, activity:1019673, activity:1019674, activity:1019675