364376

Source:http://linkedlifedata.com/resource/chembl/compound/364376

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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/C31H35F3N4O6S/c1-20(2)17-37(45(42,43)25-13-11-23(35)12-14-25)18-27(39)26(15-21-7-4-3-5-8-21)36-29(40)28-19-38(30(41)44-28)24-10-6-9-22(16-24)31(32,33)34/h3-14,16,20,26-28,39H,15,17-19,35H2,1-2H3,(H,36,40)/t26-,27+,28-/m0/s1
chemicalCompound:standardIn...	IKIBOJUXKVIMKQ-IARZGTGTSA-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)c4ccc(N)cc4
chemicalCompound:molecularF...	C31H35F3N4O6S
chemicalCompound:moleculeId	364376
chemicalCompound:mwFreebase	648.693
chemicalCompound:alogp	4.389
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	150.65
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.069
chemicalCompound:acdLogP	5.006
chemicalCompound:acdLogD	5.006
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	648.693
chemicalCompound:acdMostBpk...	1.745
chemicalCompound:chemblId	CHEMBL384440
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:464376
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:1795394, activity:1795421, activity:1795429, activity:1795441, activity:2496813, activity:2496956