|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H19N3O2S/c1-2-4-18-15(3-1)20-19(25-18)22-9-7-21(8-10-22)12-14-5-6-16-17(11-14)24-13-23-16/h1-6,11H,7-10,12-13H2
|
|
chemicalCompound:standardIn... |
BYHKGNWKJMGHGE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
C(N1CCN(CC1)c2nc3ccccc3s2)c4ccc5OCOc5c4
|
|
chemicalCompound:molecularF... |
C19 H19 N3 O2 S
|
|
chemicalCompound:moleculeId |
34005
|
|
chemicalCompound:mwFreebase |
353.438
|
|
chemicalCompound:alogp |
3.306
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
66.07
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.213
|
|
chemicalCompound:acdLogD |
3.21
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
353.438
|
|
chemicalCompound:acdMostBpk... |
5.774
|
|
chemicalCompound:chemblId |
CHEMBL24909
|
|
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 |
activity:870883,
activity:870884,
activity:870885,
activity:870886,
activity:870887,
activity:870888,
activity:870889,
activity:870890,
activity:870891,
activity:870892,
activity:870893,
activity:870894,
activity:870895,
activity:3617496,
activity:4019307,
activity:4372419,
activity:4762774,
activity:4969759,
activity:4990265,
activity:5017019,
activity:5029329,
activity:5038812,
activity:5997299,
activity:6014086,
activity:6017312,
activity:6020562,
activity:6046137,
activity:7024044,
activity:7563914
|
