254713

Source:http://linkedlifedata.com/resource/chembl/compound/254713

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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/C50H63N3O11/c1-24-21-27(4)34(28(5)22-24)23-52-16-18-53(19-17-52)40-39-43(57)37-36(44(40)58)38-47(31(8)42(37)56)64-50(11,48(38)59)61-20-15-35-29(6)45(62-33(10)54)32(9)46(63-35)30(7)41(55)25(2)13-12-14-26(3)49(60)51-39/h12-15,20-22,25,29-30,32,35,41,45-46,55-58H,16-19,23H2,1-11H3,(H,51,60)/b13-12+,20-15+,26-14-
chemicalCompound:standardIn...	FIIIERVEGYHMFH-MISUTKSESA-N
chemicalCompound:canonicalS...	CC1\C=C\C=C(\C)/C(=O)Nc2c(O)c3c(O)c(C)c4OC(C)(O\C=C\C5OC(C(C)C1O)C(C)C(OC(=O)C)C5C)C(=O)c4c3c(O)c2N6CCN(Cc7c(C)cc(C)cc7C)CC6
chemicalCompound:molecularF...	C50 H63 N3 O11
chemicalCompound:moleculeId	254713
chemicalCompound:mwFreebase	882.049
chemicalCompound:alogp	7.091
chemicalCompound:hba	13
chemicalCompound:hbd	5
chemicalCompound:psa	187.55
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.916
chemicalCompound:acdLogP	5.209
chemicalCompound:acdLogD	2.607
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	882.049
chemicalCompound:acdMostBpk...	12.057
chemicalCompound:chemblId	CHEMBL348223
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:354713
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:32755, activity:32756, activity:32757, activity:32758, activity:32759