199996

Source:http://linkedlifedata.com/resource/chembl/compound/199996

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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/c1-23-10-9-15-30(41-2)33(23)43-22-32(39)36-26(18-24-11-5-3-6-12-24)20-29(38)28(19-25-13-7-4-8-14-25)37-35(40)45-31-21-44-34-27(31)16-17-42-34/h3-15,26-29,31,34,38H,16-22H2,1-2H3,(H,36,39)(H,37,40)/t26-,27?,28-,29-,31-,34?/m0/s1
chemicalCompound:standardIn...	IYSOVKLQALWEEW-WQFGVAMLSA-N
chemicalCompound:canonicalS...	COc1cccc(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	199996
chemicalCompound:mwFreebase	618.717
chemicalCompound:alogp	4.578
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	124.58
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.533
chemicalCompound:acdLogP	3.252
chemicalCompound:acdLogD	3.252
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	618.717
chemicalCompound:chemblId	CHEMBL330760
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:299996
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:77690, activity:77691, activity:77692