|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C23H18N2O2S/c26-21(16-15-17-9-3-1-4-10-17)27-25-22(18-11-5-2-6-12-18)24-20-14-8-7-13-19(20)23(25)28/h1-14H,15-16H2
|
|
chemicalCompound:standardIn... |
PEECWTNEDKKVRY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
O=C(CCc1ccccc1)ON2C(=S)c3ccccc3N=C2c4ccccc4
|
|
chemicalCompound:molecularF... |
C23H18N2O2S
|
|
chemicalCompound:moleculeId |
1309540
|
|
chemicalCompound:mwFreebase |
386.466
|
|
chemicalCompound:alogp |
5.383
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
73.99
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
5.277
|
|
chemicalCompound:acdLogD |
5.277
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
386.466
|
|
chemicalCompound:chemblId |
CHEMBL1988249
|
|
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:8265756,
activity:8267575,
activity:8317274,
activity:8332484,
activity:8422250,
activity:8438106,
activity:8453432,
activity:8491214,
activity:8522401,
activity:8537913,
activity:8618718,
activity:8675054,
activity:8695267,
activity:8790280,
activity:8792917,
activity:8822988,
activity:8866117,
activity:8874781,
activity:8925655,
activity:8988972,
activity:9012116,
activity:9022226,
activity:9115007,
activity:9206375,
activity:9239191,
activity:9307774,
activity:9324437,
activity:9384298,
activity:9460902,
activity:9467870,
activity:9530187,
activity:9641165,
activity:9723253,
activity:9733900,
activity:9813078,
activity:9839263,
activity:9880705,
activity:9910803,
activity:9943381,
activity:9983257,
activity:10042040,
activity:10102390,
activity:10119493,
activity:10166129,
activity:10201597,
activity:10234859,
activity:10274305,
activity:10285471,
activity:10390231,
activity:10410901,
activity:10459683,
activity:10515822,
activity:10544300,
activity:10619996,
activity:10634849,
activity:10722186,
activity:10738046,
activity:10745171
|
