rdf:type |
|
chemicalCompound:standardIn... |
InChI=1S/C16H8ClN5OS2/c17-9-3-5-10(6-4-9)22-14-12(25-16(22)24)15-19-13(11-2-1-7-23-11)20-21(15)8-18-14/h1-8H
|
chemicalCompound:standardIn... |
PJHIANAJWSDAOF-UHFFFAOYSA-N
|
chemicalCompound:canonicalS... |
Clc1ccc(cc1)N2C(=S)Sc3c2ncn4nc(nc34)c5occc5
|
chemicalCompound:molecularF... |
C16H8ClN5OS2
|
chemicalCompound:moleculeId |
623030
|
chemicalCompound:mwFreebase |
385.851
|
chemicalCompound:alogp |
5.603
|
chemicalCompound:hba |
5
|
chemicalCompound:hbd |
0
|
chemicalCompound:psa |
116.85
|
chemicalCompound:rtb |
2
|
chemicalCompound:ro3Pass |
N
|
chemicalCompound:numRo5viol... |
1
|
chemicalCompound:medChemFri... |
N
|
chemicalCompound:acdLogP |
4.693
|
chemicalCompound:acdLogD |
4.693
|
chemicalCompound:molecularS... |
|
chemicalCompound:fullMwt |
385.851
|
chemicalCompound:chemblId |
CHEMBL1090577
|
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 |
|