653266

Source:http://linkedlifedata.com/resource/chembl/compound/653266

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C29H35N7O7S2/c1-29(2,3)33-21(37)12-35-10-8-17(9-11-35)44-15-20-24(27(40)41)36-19(13-42-20)23(26(36)39)32-25(38)22(18-14-45-28(30)31-18)34-43-16-6-4-5-7-16/h8-11,14,16,19,23H,4-7,12-13,15H2,1-3H3,(H4-,30,31,32,33,37,38,40,41)/p+1/b34-22-/t19-,23+/m1/s1
chemicalCompound:standardIn...	ZLAXIDDEPIHOPF-MNJZUDTESA-O
chemicalCompound:canonicalS...	CC(C)(C)NC(=O)C[n+]1ccc(SCC2=C(N3[C@H](CO2)[C@H](NC(=O)\C(=N/OC4CCCC4)\c5csc(N)n5)C3=O)C(=O)O)cc1
chemicalCompound:molecularF...	C29H36N7O7S2
chemicalCompound:moleculeId	653266
chemicalCompound:mwFreebase	658.769
chemicalCompound:alogp	1.447
chemicalCompound:hba	11
chemicalCompound:hbd	4
chemicalCompound:psa	242.95
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.124
chemicalCompound:acdLogP	-2.197
chemicalCompound:acdLogD	-1.632
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	658.769
chemicalCompound:acdMostBpk...	1.74
chemicalCompound:chemblId	CHEMBL1179316
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:753266
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No