364391

Source:http://linkedlifedata.com/resource/chembl/compound/364391

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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/C31H37N3O7S/c1-22(2)19-33(42(38,39)26-16-10-15-25(18-26)40-3)20-28(35)27(17-23-11-6-4-7-12-23)32-30(36)29-21-34(31(37)41-29)24-13-8-5-9-14-24/h4-16,18,22,27-29,35H,17,19-21H2,1-3H3,(H,32,36)/t27-,28+,29-/m0/s1
chemicalCompound:standardIn...	VHHGFQQTNGLIIJ-NHKHRBQYSA-N
chemicalCompound:canonicalS...	COc1cccc(c1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)O3)c4ccccc4
chemicalCompound:molecularF...	C31H37N3O7S
chemicalCompound:moleculeId	364391
chemicalCompound:mwFreebase	595.706
chemicalCompound:alogp	4.176
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	133.85
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.102
chemicalCompound:acdLogP	5.546
chemicalCompound:acdLogD	5.546
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	595.706
chemicalCompound:chemblId	CHEMBL266950
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:464391
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:1795401, activity:2496868, activity:2496902