364395

Source:http://linkedlifedata.com/resource/chembl/compound/364395

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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/C31H33F2N3O7S/c1-42-23-10-12-24(13-11-23)44(40,41)35(17-21-7-8-21)18-28(37)27(15-20-5-3-2-4-6-20)34-30(38)29-19-36(31(39)43-29)22-9-14-25(32)26(33)16-22/h2-6,9-14,16,21,27-29,37H,7-8,15,17-19H2,1H3,(H,34,38)/t27-,28+,29-/m0/s1
chemicalCompound:standardIn...	PUSRVEPTERUAIU-NHKHRBQYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)O3)c4ccc(F)c(F)c4)CC5CC5
chemicalCompound:molecularF...	C31H33F2N3O7S
chemicalCompound:moleculeId	364395
chemicalCompound:mwFreebase	629.671
chemicalCompound:alogp	4.216
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	133.85
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.927
chemicalCompound:acdLogP	4.893
chemicalCompound:acdLogD	4.893
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	629.671
chemicalCompound:chemblId	CHEMBL415592
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:464395
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:1795413, activity:2496856, activity:2496913