35024

Source:http://linkedlifedata.com/resource/chembl/compound/35024

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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/C51H61N5O8/c1-33(2)43(47(59)53-31-39-26-27-40(63-6)29-42(39)57)55-48(60)44(52-30-35-22-24-38(25-23-35)37-20-14-9-15-21-37)45(58)41(28-34-16-10-7-11-17-34)54-49(61)46(51(3,4)5)56-50(62)64-32-36-18-12-8-13-19-36/h7-27,29,33,41,43-46,52,57-58H,28,30-32H2,1-6H3,(H,53,59)(H,54,61)(H,55,60)(H,56,62)/t41-,43-,44+,45+,46+/m0/s1
chemicalCompound:standardIn...	WLMPZELFDZJRMG-DKKSSALCSA-N
chemicalCompound:canonicalS...	COc1ccc(CNC(=O)[C@@H](NC(=O)[C@H](NCc2ccc(cc2)c3ccccc3)[C@H](O)[C@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)OCc5ccccc5)C(C)(C)C)C(C)C)c(O)c1
chemicalCompound:molecularF...	C51 H61 N5 O8
chemicalCompound:moleculeId	35024
chemicalCompound:mwFreebase	872.059
chemicalCompound:alogp	7.295
chemicalCompound:hba	9
chemicalCompound:hbd	7
chemicalCompound:psa	187.34
chemicalCompound:rtb	22
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.268
chemicalCompound:acdLogP	9.095
chemicalCompound:acdLogD	9.08
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	872.059
chemicalCompound:acdMostBpk...	5.676
chemicalCompound:chemblId	CHEMBL27069
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:135024
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:1083293