207932

Source:http://linkedlifedata.com/resource/chembl/compound/207932

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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/C48H62N4O8/c1-31(2)39(45(55)49-5)51-47(57)43(59-29-37-25-21-35(22-26-37)19-17-33-13-9-7-10-14-33)41(53)42(54)44(48(58)52-40(32(3)4)46(56)50-6)60-30-38-27-23-36(24-28-38)20-18-34-15-11-8-12-16-34/h7-16,21-28,31-32,39-44,53-54H,17-20,29-30H2,1-6H3,(H,49,55)(H,50,56)(H,51,57)(H,52,58)/t39-,40-,41+,42+,43+,44+/m0/s1
chemicalCompound:standardIn...	WSIGESKMDUMSIL-LVFDAWRISA-N
chemicalCompound:canonicalS...	CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(CCc2ccccc2)cc1)[C@H](O)[C@@H](O)[C@@H](OCc3ccc(CCc4ccccc4)cc3)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C
chemicalCompound:molecularF...	C48 H62 N4 O8
chemicalCompound:moleculeId	207932
chemicalCompound:mwFreebase	823.028
chemicalCompound:alogp	6.091
chemicalCompound:hba	8
chemicalCompound:hbd	6
chemicalCompound:psa	175.31
chemicalCompound:rtb	23
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.216
chemicalCompound:acdLogP	10.623
chemicalCompound:acdLogD	10.621
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	823.028
chemicalCompound:chemblId	CHEMBL441167
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:307932
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:168699, activity:168700, activity:168701, activity:168702, activity:608128, activity:608129