|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C23H22N2O2S/c1-5-25-18-9-7-6-8-16(18)21-17(22(25)26)13-20(28-21)23(27)24(4)19-12-14(2)10-11-15(19)3/h6-13H,5H2,1-4H3
|
|
chemicalCompound:standardIn... |
RRDLYZAYHPLNOJ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCN1C(=O)c2cc(sc2c3ccccc13)C(=O)N(C)c4cc(C)ccc4C
|
|
chemicalCompound:molecularF... |
C23H22N2O2S
|
|
chemicalCompound:moleculeId |
1015543
|
|
chemicalCompound:mwFreebase |
390.498
|
|
chemicalCompound:alogp |
5.065
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
68.86
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
6.98
|
|
chemicalCompound:acdLogD |
6.98
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
390.498
|
|
chemicalCompound:acdMostBpk... |
1.137
|
|
chemicalCompound:chemblId |
CHEMBL1591659
|
|
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 |
|
