rdf:type |
|
chemicalCompound:standardIn... |
InChI=1S/C32H19Cl2N5OS/c33-20-12-8-17(9-13-20)16-19-4-3-5-22-25(18-10-14-21(34)15-11-18)26-28(37-27(19)22)38-32-39(31(26)40)29-30(41-32)36-24-7-2-1-6-23(24)35-29/h1-2,6-16H,3-5H2/b19-16-
|
chemicalCompound:standardIn... |
GNSJAVGWLMKAIC-MNDPQUGUSA-N
|
chemicalCompound:canonicalS... |
Clc1ccc(\C=C/2\CCCc3c2nc4N=C5Sc6nc7ccccc7nc6N5C(=O)c4c3c8ccc(Cl)cc8)cc1
|
chemicalCompound:molecularF... |
C32H19Cl2N5OS
|
chemicalCompound:moleculeId |
629149
|
chemicalCompound:mwFreebase |
592.497
|
chemicalCompound:alogp |
9.769
|
chemicalCompound:hba |
6
|
chemicalCompound:hbd |
0
|
chemicalCompound:psa |
96.64
|
chemicalCompound:rtb |
2
|
chemicalCompound:ro3Pass |
N
|
chemicalCompound:numRo5viol... |
2
|
chemicalCompound:medChemFri... |
Y
|
chemicalCompound:acdLogP |
7.865
|
chemicalCompound:acdLogD |
7.865
|
chemicalCompound:molecularS... |
|
chemicalCompound:fullMwt |
592.497
|
chemicalCompound:chemblId |
CHEMBL1098020
|
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 |
|