671198

Source:http://linkedlifedata.com/resource/chembl/compound/671198

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C49H63N5O7/c1-8-14-40(56)50-29-49(58)43-47(19-22-54-20-13-18-46(10-3,42(47)54)44(49)61-30(4)55)35-24-36(39(59-6)25-38(35)52(43)5)48(45(57)60-7)26-32-23-31(9-2)27-53(28-32)21-17-34-33-15-11-12-16-37(33)51-41(34)48/h11-13,15-16,18,23-25,32,42-44,51,58H,8-10,14,17,19-22,26-29H2,1-7H3,(H,50,56)/t32-,42-,43+,44+,46+,47+,48-,49-/m0/s1
chemicalCompound:standardIn...	JZAIEMZCOBZRHS-ZVRXLBAYSA-N
chemicalCompound:canonicalS...	CCCC(=O)NC[C@@]1(O)[C@H](OC(=O)C)[C@]2(CC)C=CCN3CC[C@@]4([C@H]23)[C@H]1N(C)c5cc(OC)c(cc45)[C@]6(C[C@H]7CN(CCc8c6[nH]c9ccccc89)CC(=C7)CC)C(=O)OC
chemicalCompound:molecularF...	C49H63N5O7
chemicalCompound:moleculeId	671198
chemicalCompound:mwFreebase	834.054
chemicalCompound:alogp	6.113
chemicalCompound:hba	10
chemicalCompound:hbd	3
chemicalCompound:psa	136.67
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.85
chemicalCompound:acdLogP	8.096
chemicalCompound:acdLogD	7.704
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	834.054
chemicalCompound:acdMostBpk...	7.524
chemicalCompound:chemblId	CHEMBL1197248
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:771198
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No