200066

Source:http://linkedlifedata.com/resource/chembl/compound/200066

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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/C35H43N3O6/c1-23-10-9-11-24(2)33(23)36-21-32(40)37-27(18-25-12-5-3-6-13-25)20-30(39)29(19-26-14-7-4-8-15-26)38-35(41)44-31-22-43-34-28(31)16-17-42-34/h3-15,27-31,34,36,39H,16-22H2,1-2H3,(H,37,40)(H,38,41)/t27-,28?,29-,30-,31-,34?/m0/s1
chemicalCompound:standardIn...	UGRJYHCGADMBPB-PMFOINFDSA-N
chemicalCompound:canonicalS...	Cc1cccc(C)c1NCC(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]3COC4OCCC34)Cc5ccccc5
chemicalCompound:molecularF...	C35 H43 N3 O6
chemicalCompound:moleculeId	200066
chemicalCompound:mwFreebase	601.732
chemicalCompound:alogp	4.906
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	118.15
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.535
chemicalCompound:acdLogP	2.715
chemicalCompound:acdLogD	2.715
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	601.732
chemicalCompound:acdMostBpk...	2.899
chemicalCompound:chemblId	CHEMBL121477
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:300066
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:103361, activity:103362, activity:103363