364392

Source:http://linkedlifedata.com/resource/chembl/compound/364392

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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/C33H39N3O8S/c1-22(2)19-35(45(41,42)28-12-8-11-27(18-28)43-4)20-30(38)29(17-24-9-6-5-7-10-24)34-32(39)31-21-36(33(40)44-31)26-15-13-25(14-16-26)23(3)37/h5-16,18,22,29-31,38H,17,19-21H2,1-4H3,(H,34,39)/t29-,30+,31-/m0/s1
chemicalCompound:standardIn...	RZCSYMCCZXFLPH-YPKYBTACSA-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)c4ccc(cc4)C(=O)C
chemicalCompound:molecularF...	C33H39N3O8S
chemicalCompound:moleculeId	364392
chemicalCompound:mwFreebase	637.743
chemicalCompound:alogp	3.916
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	150.92
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.025
chemicalCompound:acdLogP	5.29
chemicalCompound:acdLogD	5.29
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	637.743
chemicalCompound:chemblId	CHEMBL415591
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:464392
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:1795400, activity:2496862, activity:2496908