|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C23H19NO4S/c1-26-17-5-3-16(4-6-17)21-22(25)19-8-7-18(27-2)13-20(19)28-23(21)29-14-15-9-11-24-12-10-15/h3-13H,14H2,1-2H3
|
|
chemicalCompound:standardIn... |
SXRYBTCTRUEJJT-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(cc1)C2=C(Oc3cc(OC)ccc3C2=O)SCc4ccncc4
|
|
chemicalCompound:molecularF... |
C23H19NO4S
|
|
chemicalCompound:moleculeId |
312021
|
|
chemicalCompound:mwFreebase |
405.466
|
|
chemicalCompound:alogp |
4.49
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
82.95
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.236
|
|
chemicalCompound:acdLogD |
4.232
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
405.466
|
|
chemicalCompound:acdMostBpk... |
5.349
|
|
chemicalCompound:chemblId |
CHEMBL361653
|
|
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 |
|
