|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H12F3N3OS/c1-8-5-12-16(25-8)10-6-21-23(17(24)15(10)22(12)2)7-9-3-4-11(18)14(20)13(9)19/h3-6H,7H2,1-2H3
|
|
chemicalCompound:standardIn... |
NOZQDFSANILJNV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1cc2c(s1)c3C=NN(Cc4ccc(F)c(F)c4F)C(=O)c3n2C
|
|
chemicalCompound:molecularF... |
C17H12F3N3OS
|
|
chemicalCompound:moleculeId |
632175
|
|
chemicalCompound:mwFreebase |
363.357
|
|
chemicalCompound:alogp |
4.149
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
65.84
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.888
|
|
chemicalCompound:acdLogD |
2.888
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
363.357
|
|
chemicalCompound:chemblId |
CHEMBL1082796
|
|
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 |
activity:3312384,
activity:3312385,
activity:3312386,
activity:3312387,
activity:3312388,
activity:3312389,
activity:3313343,
activity:3313344,
activity:3699616,
activity:3942443,
activity:4417423,
activity:4443398,
activity:4711825,
activity:4839445
|
