364381

Source:http://linkedlifedata.com/resource/chembl/compound/364381

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C32H34F3N3O8S/c1-20(2)16-37(47(42,43)24-11-12-27-28(15-24)45-19-44-27)17-26(39)25(13-21-7-4-3-5-8-21)36-30(40)29-18-38(31(41)46-29)23-10-6-9-22(14-23)32(33,34)35/h3-12,14-15,20,25-26,29,39H,13,16-19H2,1-2H3,(H,36,40)/t25-,26+,29-/m0/s1
chemicalCompound:standardIn...	IAINWMUGEQGIGE-HFASVGIHSA-N
chemicalCompound:canonicalS...	CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(F)(F)F)S(=O)(=O)c4ccc5OCOc5c4
chemicalCompound:molecularF...	C32H34F3N3O8S
chemicalCompound:moleculeId	364381
chemicalCompound:mwFreebase	677.688
chemicalCompound:alogp	4.903
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	143.09
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.045
chemicalCompound:acdLogP	5.305
chemicalCompound:acdLogD	5.305
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	677.688
chemicalCompound:chemblId	CHEMBL373518
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:464381
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:1795389, activity:2496805, activity:2496965