|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C24H17ClN4OS3/c1-15-19(13-18-8-5-11-31-18)24(29(27-15)17-7-4-6-16(25)12-17)28(22(30)14-32-24)23-26-20-9-2-3-10-21(20)33-23/h2-13H,14H2,1H3/b19-13-
|
|
chemicalCompound:standardIn... |
WXXKSQXELNHRFO-UYRXBGFRSA-N
|
|
chemicalCompound:canonicalS... |
CC1=NN(c2cccc(Cl)c2)C3(SCC(=O)N3c4nc5ccccc5s4)/C/1=C\c6cccs6
|
|
chemicalCompound:molecularF... |
C24H17ClN4OS3
|
|
chemicalCompound:moleculeId |
1310065
|
|
chemicalCompound:mwFreebase |
509.066
|
|
chemicalCompound:alogp |
7.261
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
130.57
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
2
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.066
|
|
chemicalCompound:acdLogD |
5.066
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
509.066
|
|
chemicalCompound:acdMostBpk... |
2.344
|
|
chemicalCompound:chemblId |
CHEMBL1988774
|
|
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:8234698,
activity:8314181,
activity:8366426,
activity:8400122,
activity:8420310,
activity:8477777,
activity:8506243,
activity:8519663,
activity:8571774,
activity:8677466,
activity:8723414,
activity:8768004,
activity:8770602,
activity:8804627,
activity:8852404,
activity:8903229,
activity:8923814,
activity:8966782,
activity:9066215,
activity:9094862,
activity:9097032,
activity:9183891,
activity:9228070,
activity:9287494,
activity:9356017,
activity:9359407,
activity:9366402,
activity:9439089,
activity:9446093,
activity:9517716,
activity:9687359,
activity:9701345,
activity:9711787,
activity:9791745,
activity:9858600,
activity:9887587,
activity:9921258,
activity:9959166,
activity:10024636,
activity:10035964,
activity:10148639,
activity:10167983,
activity:10212843,
activity:10272251,
activity:10321951,
activity:10368311,
activity:10397868,
activity:10438171,
activity:10493801,
activity:10617302,
activity:10667296,
activity:10700034,
activity:10716025
|
