295488

Source:http://linkedlifedata.com/resource/chembl/compound/295488

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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/C40H61N5O8/c1-25(2)21-31(35(47)43-33(26(3)4)36(48)44-34(27(5)6)37(49)52-10)41-38(50)45(23-29-19-15-12-16-20-29)24-32(46)30(22-28-17-13-11-14-18-28)42-39(51)53-40(7,8)9/h11-20,25-27,30-34,46H,21-24H2,1-10H3,(H,41,50)(H,42,51)(H,43,47)(H,44,48)/t30-,31-,32+,33-,34-/m0/s1
chemicalCompound:standardIn...	GYCLMSRGHDFJJM-UBLLTGQXSA-N
chemicalCompound:canonicalS...	COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc2ccccc2)C(C)C)C(C)C
chemicalCompound:molecularF...	C40 H61 N5 O8
chemicalCompound:moleculeId	295488
chemicalCompound:mwFreebase	739.941
chemicalCompound:alogp	5.545
chemicalCompound:hba	8
chemicalCompound:hbd	5
chemicalCompound:psa	175.39
chemicalCompound:rtb	21
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.036
chemicalCompound:acdLogP	4.557
chemicalCompound:acdLogD	4.557
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	739.941
chemicalCompound:chemblId	CHEMBL178587
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:395488
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:881329