364357

Source:http://linkedlifedata.com/resource/chembl/compound/364357

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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/C33H30F3N3O7S2/c1-20(40)22-9-11-23(12-10-22)39-19-30(46-33(39)43)32(42)37-28(14-21-6-3-2-4-7-21)29(41)18-38(17-24-8-5-13-47-24)48(44,45)31-16-26(35)25(34)15-27(31)36/h2-13,15-16,28-30,41H,14,17-19H2,1H3,(H,37,42)/t28-,29+,30-/m0/s1
chemicalCompound:standardIn...	QBDOJPKXUDNOBE-JBOQNHBVSA-N
chemicalCompound:canonicalS...	CC(=O)c1ccc(cc1)N2C[C@H](OC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(Cc4cccs4)S(=O)(=O)c5cc(F)c(F)cc5F
chemicalCompound:molecularF...	C33H30F3N3O7S2
chemicalCompound:moleculeId	364357
chemicalCompound:mwFreebase	701.732
chemicalCompound:alogp	4.681
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	169.94
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.989
chemicalCompound:acdLogP	5.188
chemicalCompound:acdLogD	5.188
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	701.732
chemicalCompound:chemblId	CHEMBL269291
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:464357
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:1795406, activity:2496890, activity:2496981