199635

Source:http://linkedlifedata.com/resource/chembl/compound/199635

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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/C36H45N3O9S/c1-23-16-28(39-49(3,43)44)17-24(2)34(23)46-22-33(41)38-30(19-26-12-8-5-9-13-26)31(40)20-27(18-25-10-6-4-7-11-25)37-36(42)48-32-21-47-35-29(32)14-15-45-35/h4-13,16-17,27,29-32,35,39-40H,14-15,18-22H2,1-3H3,(H,37,42)(H,38,41)/t27-,29?,30-,31-,32-,35?/m0/s1
chemicalCompound:standardIn...	GEGHECUDHJTLON-YGAKJFTDSA-N
chemicalCompound:canonicalS...	Cc1cc(NS(=O)(=O)C)cc(C)c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc3ccccc3)NC(=O)O[C@H]4COC5OCCC45
chemicalCompound:molecularF...	C36 H45 N3 O9 S
chemicalCompound:moleculeId	199635
chemicalCompound:mwFreebase	695.822
chemicalCompound:alogp	3.992
chemicalCompound:hba	9
chemicalCompound:hbd	4
chemicalCompound:psa	169.9
chemicalCompound:rtb	16
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.012
chemicalCompound:acdLogP	4.315
chemicalCompound:acdLogD	4.303
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	695.822
chemicalCompound:chemblId	CHEMBL121136
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:299635
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:93285, activity:93286, activity:93287