200477

Source:http://linkedlifedata.com/resource/chembl/compound/200477

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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/C34H41N3O7/c1-22-13-15-35-23(2)32(22)42-21-31(39)36-26(17-24-9-5-3-6-10-24)19-29(38)28(18-25-11-7-4-8-12-25)37-34(40)44-30-20-43-33-27(30)14-16-41-33/h3-13,15,26-30,33,38H,14,16-21H2,1-2H3,(H,36,39)(H,37,40)/t26-,27?,28-,29-,30-,33?/m0/s1
chemicalCompound:standardIn...	XXLDFDUIHGJBJI-WGELOTEFSA-N
chemicalCompound:canonicalS...	Cc1ccnc(C)c1OCC(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]3COC4OCCC34)Cc5ccccc5
chemicalCompound:molecularF...	C34 H41 N3 O7
chemicalCompound:moleculeId	200477
chemicalCompound:mwFreebase	603.705
chemicalCompound:alogp	3.727
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	128.23
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.532
chemicalCompound:acdLogP	3.62
chemicalCompound:acdLogD	3.558
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	603.705
chemicalCompound:acdMostBpk...	6.658
chemicalCompound:chemblId	CHEMBL123788
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:300477
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:102365, activity:102366, activity:102367