200036

Source:http://linkedlifedata.com/resource/chembl/compound/200036

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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/C36H45N3O7/c1-23-16-27(37-3)17-24(2)34(23)44-22-33(41)38-28(18-25-10-6-4-7-11-25)20-31(40)30(19-26-12-8-5-9-13-26)39-36(42)46-32-21-45-35-29(32)14-15-43-35/h4-13,16-17,28-32,35,37,40H,14-15,18-22H2,1-3H3,(H,38,41)(H,39,42)/t28-,29?,30-,31-,32?,35?/m0/s1
chemicalCompound:standardIn...	BWOWQEAUUIMYRL-YZJGNAKWSA-N
chemicalCompound:canonicalS...	CNc1cc(C)c(OCC(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC3COC4OCCC34)Cc5ccccc5)c(C)c1
chemicalCompound:molecularF...	C36 H45 N3 O7
chemicalCompound:moleculeId	200036
chemicalCompound:mwFreebase	631.758
chemicalCompound:alogp	4.89
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	127.38
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.533
chemicalCompound:acdLogP	4.306
chemicalCompound:acdLogD	4.301
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	631.758
chemicalCompound:acdMostBpk...	5.55
chemicalCompound:chemblId	CHEMBL123008
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:300036
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:95262, activity:95263, activity:95264