|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
|
|
chemicalCompound:standardIn... |
KLBQZWRITKRQQV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1
|
|
chemicalCompound:molecularF... |
C21H26N2S2
|
|
chemicalCompound:moleculeId |
5970
|
|
chemicalCompound:mwFreebase |
370.575
|
|
chemicalCompound:alogp |
5.563
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
57.08
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.9
|
|
chemicalCompound:acdLogD |
3.495
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
370.575
|
|
chemicalCompound:acdMostBpk... |
9.844
|
|
chemicalCompound:chemblId |
CHEMBL479
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
Yes
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
THIORIDAZINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:74766,
activity:142630,
activity:142631,
activity:152025,
activity:152026,
activity:152027,
activity:152028,
activity:152029,
activity:186768,
activity:236579,
activity:236580,
activity:236581,
activity:236582,
activity:276718,
activity:285542,
activity:285543,
activity:345127,
activity:353933,
activity:353934,
activity:353935,
activity:353936,
activity:353937,
activity:353938,
activity:353939,
activity:353940,
activity:353941,
activity:353942,
activity:353943,
activity:353944,
activity:353945,
activity:353946,
activity:353947,
activity:353948,
activity:353949,
activity:353950,
activity:376466,
activity:376467,
activity:376468,
activity:376469,
activity:382343,
activity:382344,
activity:411069,
activity:411070,
activity:476008,
activity:476009,
activity:476010,
activity:476011,
activity:476012,
activity:476013,
activity:476014,
activity:476015,
activity:476016,
activity:476017,
activity:476018,
activity:476019,
activity:564081,
activity:564082
|
