200428

Source:http://linkedlifedata.com/resource/chembl/compound/200428

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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/C35H42N2O8/c1-22-15-27(38)16-23(2)33(22)43-21-32(40)36-26(17-24-9-5-3-6-10-24)19-30(39)29(18-25-11-7-4-8-12-25)37-35(41)45-31-20-44-34-28(31)13-14-42-34/h3-12,15-16,26,28-31,34,38-39H,13-14,17-21H2,1-2H3,(H,36,40)(H,37,41)/t26-,28?,29-,30-,31-,34?/m0/s1
chemicalCompound:standardIn...	XZVBEGIRGWKXPD-MICYFRCXSA-N
chemicalCompound:canonicalS...	Cc1cc(O)cc(C)c1OCC(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]3COC4OCCC34)Cc5ccccc5
chemicalCompound:molecularF...	C35 H42 N2 O8
chemicalCompound:moleculeId	200428
chemicalCompound:mwFreebase	618.717
chemicalCompound:alogp	4.839
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	135.58
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.382
chemicalCompound:acdLogP	4.023
chemicalCompound:acdLogD	4.022
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	618.717
chemicalCompound:chemblId	CHEMBL332544
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:300428
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:96285, activity:96286, activity:96287