364368

Source:http://linkedlifedata.com/resource/chembl/compound/364368

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/C31H35F2N3O7S/c1-20(2)17-35(44(40,41)24-12-10-23(42-3)11-13-24)18-28(37)27(15-21-7-5-4-6-8-21)34-30(38)29-19-36(31(39)43-29)22-9-14-25(32)26(33)16-22/h4-14,16,20,27-29,37H,15,17-19H2,1-3H3,(H,34,38)/t27-,28+,29-/m0/s1
chemicalCompound:standardIn...	LAEBWIYUPGQNFS-NHKHRBQYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)O3)c4ccc(F)c(F)c4
chemicalCompound:molecularF...	C31H35F2N3O7S
chemicalCompound:moleculeId	364368
chemicalCompound:mwFreebase	631.687
chemicalCompound:alogp	4.588
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	5.365
chemicalCompound:acdLogD	5.365
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	631.687
chemicalCompound:chemblId	CHEMBL384437
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:464368
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:1795378, activity:1795425, activity:1795433, activity:1795440, activity:2496819, activity:2496950