|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H20N2OS2/c1-21(2)14-8-5-13(6-9-14)7-10-19-20-15-11-16(22-3)18(23-4)12-17(15)24-19/h5-12H,1-4H3/b10-7+
|
|
chemicalCompound:standardIn... |
KACJTYFRTWUNTN-JXMROGBWSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc2nc(\C=C\c3ccc(cc3)N(C)C)sc2cc1SC
|
|
chemicalCompound:molecularF... |
C19H20N2OS2
|
|
chemicalCompound:moleculeId |
882296
|
|
chemicalCompound:mwFreebase |
356.505
|
|
chemicalCompound:alogp |
4.994
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
78.89
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.944
|
|
chemicalCompound:acdLogD |
4.944
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
356.505
|
|
chemicalCompound:acdMostBpk... |
4.243
|
|
chemicalCompound:chemblId |
CHEMBL1458412
|
|
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:3622136,
activity:3629908,
activity:3739742,
activity:3770667,
activity:3935765,
activity:3943223,
activity:3988348,
activity:3996932,
activity:4012853,
activity:4129532,
activity:4208119,
activity:4362406,
activity:4436249,
activity:4557813,
activity:4592801,
activity:4602019,
activity:5362052,
activity:5503000,
activity:5720090,
activity:5809975,
activity:5957785,
activity:5963736,
activity:6451633,
activity:6589805,
activity:6642303,
activity:6758393,
activity:6768029,
activity:6876449,
activity:7170136,
activity:7240487,
activity:7309104,
activity:7363314,
activity:7403661,
activity:9770129,
activity:10564765
|
