35153

Source:http://linkedlifedata.com/resource/chembl/compound/35153

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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/C47H61N5O10/c1-29(2)39(43(55)49-27-33-19-20-34(59-6)25-38(33)53)51-44(56)40(48-26-32-21-35(60-7)24-36(22-32)61-8)41(54)37(23-30-15-11-9-12-16-30)50-45(57)42(47(3,4)5)52-46(58)62-28-31-17-13-10-14-18-31/h9-22,24-25,29,37,39-42,48,53-54H,23,26-28H2,1-8H3,(H,49,55)(H,50,57)(H,51,56)(H,52,58)/t37-,39-,40+,41+,42+/m0/s1
chemicalCompound:standardIn...	CHNCGELSMVPUFZ-LLSMIMKKSA-N
chemicalCompound:canonicalS...	COc1ccc(CNC(=O)[C@@H](NC(=O)[C@H](NCc2cc(OC)cc(OC)c2)[C@H](O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)OCc4ccccc4)C(C)(C)C)C(C)C)c(O)c1
chemicalCompound:molecularF...	C47 H61 N5 O10
chemicalCompound:moleculeId	35153
chemicalCompound:mwFreebase	856.015
chemicalCompound:alogp	5.744
chemicalCompound:hba	11
chemicalCompound:hbd	7
chemicalCompound:psa	205.8
chemicalCompound:rtb	23
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	4
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.268
chemicalCompound:acdLogP	7.088
chemicalCompound:acdLogD	7.073
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	856.015
chemicalCompound:acdMostBpk...	5.654
chemicalCompound:chemblId	CHEMBL27951
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:135153
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:1072670