|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C23H13Cl2N3O2/c24-13-9-10-19(17(25)11-13)27-22(29)16-12-21-26-18-7-3-1-6-15(18)23(30)28(21)20-8-4-2-5-14(16)20/h1-12H,(H,27,29)
|
|
chemicalCompound:standardIn... |
FTVSDYFQWMGMNN-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc(NC(=O)C2=CC3=Nc4ccccc4C(=O)N3c5ccccc25)c(Cl)c1
|
|
chemicalCompound:molecularF... |
C23H13Cl2N3O2
|
|
chemicalCompound:moleculeId |
1313444
|
|
chemicalCompound:mwFreebase |
434.274
|
|
chemicalCompound:alogp |
4.987
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
61.77
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
11.549
|
|
chemicalCompound:acdLogP |
4.942
|
|
chemicalCompound:acdLogD |
4.942
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
434.274
|
|
chemicalCompound:chemblId |
CHEMBL1992153
|
|
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:8239704,
activity:8350606,
activity:8369666,
activity:8389887,
activity:8466891,
activity:8527050,
activity:8551619,
activity:8554100,
activity:8628165,
activity:8692924,
activity:8704220,
activity:8732854,
activity:8836871,
activity:8857187,
activity:8867879,
activity:8893090,
activity:9006815,
activity:9036194,
activity:9070867,
activity:9132911,
activity:9224655,
activity:9257152,
activity:9259231,
activity:9325799,
activity:9395269,
activity:9481244,
activity:9518083,
activity:9654117,
activity:9732393,
activity:9752023,
activity:9861411,
activity:9898679,
activity:9928679,
activity:9965776,
activity:10029349,
activity:10044812,
activity:10115850,
activity:10133142,
activity:10148683,
activity:10219478,
activity:10248471,
activity:10276934,
activity:10338320,
activity:10366080,
activity:10398168,
activity:10408914,
activity:10533755,
activity:10561501,
activity:10641771,
activity:10740139,
activity:10747553
|
