Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:standardIn...
InChI=1S/C37H35ClF3N3O4S2/c1-23-17-29-32(48-22-28-14-11-26(20-42-28)25-7-5-4-6-8-25)16-15-30-34(29)35(49-23)31(44(30)21-24-9-12-27(38)13-10-24)18-36(2,3)19-33(45)43-50(46,47)37(39,40)41/h4-16,20,23H,17-19,21-22H2,1-3H3,(H,43,45)
chemicalCompound:standardIn...
JKCOCNLIEKGRBN-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CC1Cc2c(OCc3ccc(cn3)c4ccccc4)ccc5c2c(S1)c(CC(C)(C)CC(=O)NS(=O)(=O)C(F)(F)F)n5Cc6ccc(Cl)cc6
chemicalCompound:molecularF...
C37 H35 Cl F3 N3 O4 S2
chemicalCompound:moleculeId
154087
chemicalCompound:mwFreebase
742.27
chemicalCompound:alogp
9.915
chemicalCompound:hba
6
chemicalCompound:hbd
1
chemicalCompound:psa
123.97
chemicalCompound:rtb
12
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
2
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
-1.434
chemicalCompound:acdLogP
8.656
chemicalCompound:acdLogD
6.656
chemicalCompound:molecularS...
chemicalCompound:fullMwt
742.27
chemicalCompound:acdMostBpk...
3.642
chemicalCompound:chemblId
CHEMBL274824
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
chemicalCompound:chebi
chemicalCompound:moleculeTy...
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:activity