|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H21NO6S/c1-23-11-6-7-14-13(8-11)19(17(21-14)20(22)27-5)28-12-9-15(24-2)18(26-4)16(10-12)25-3/h6-10,21H,1-5H3
|
|
chemicalCompound:standardIn... |
ACDKXOCMVBVHIC-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COC(=O)c1[nH]c2ccc(OC)cc2c1Sc3cc(OC)c(OC)c(OC)c3
|
|
chemicalCompound:molecularF... |
C20 H21 N O6 S
|
|
chemicalCompound:moleculeId |
373126
|
|
chemicalCompound:mwFreebase |
403.449
|
|
chemicalCompound:alogp |
4.323
|
|
chemicalCompound:hba |
7
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
104.31
|
|
chemicalCompound:rtb |
8
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
13.472
|
|
chemicalCompound:acdLogP |
2.355
|
|
chemicalCompound:acdLogD |
2.355
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
403.449
|
|
chemicalCompound:chemblId |
CHEMBL221765
|
|
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 |
|
