|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H17ClO4S/c1-23-15-10-13(11-16(24-2)20(15)25-3)19(22)18-9-8-17(26-18)12-4-6-14(21)7-5-12/h4-11H,1-3H3
|
|
chemicalCompound:standardIn... |
HETOAMROAZNFRU-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc(cc(OC)c1OC)C(=O)c2ccc(s2)c3ccc(Cl)cc3
|
|
chemicalCompound:molecularF... |
C20H17ClO4S
|
|
chemicalCompound:moleculeId |
486830
|
|
chemicalCompound:mwFreebase |
388.865
|
|
chemicalCompound:alogp |
5.612
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
73
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.825
|
|
chemicalCompound:acdLogD |
4.825
|
|
chemicalCompound:fullMwt |
388.865
|
|
chemicalCompound:chemblId |
CHEMBL497553
|
|
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 |
|
