|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H15ClN4O2S/c21-16-5-3-14(4-6-16)18(26)13-28-20-24-23-19(15-7-9-22-10-8-15)25(20)12-17-2-1-11-27-17/h1-11H,12-13H2
|
|
chemicalCompound:standardIn... |
ZUYGRTAXGOBVSV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc(cc1)C(=O)CSc2nnc(c3ccncc3)n2Cc4occc4
|
|
chemicalCompound:molecularF... |
C20H15ClN4O2S
|
|
chemicalCompound:moleculeId |
869672
|
|
chemicalCompound:mwFreebase |
410.877
|
|
chemicalCompound:alogp |
3.943
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
99.11
|
|
chemicalCompound:rtb |
7
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.613
|
|
chemicalCompound:acdLogD |
3.613
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
410.877
|
|
chemicalCompound:acdMostBpk... |
1.945
|
|
chemicalCompound:chemblId |
CHEMBL1445788
|
|
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:3745381,
activity:3937123,
activity:4063473,
activity:4181303,
activity:4314821,
activity:4375837,
activity:4410212,
activity:4517173,
activity:4739294,
activity:4743997,
activity:5372740,
activity:5718541,
activity:5819490,
activity:5885358,
activity:6436660,
activity:6462511,
activity:6528621,
activity:6805806,
activity:6947449
|
