|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3
|
|
chemicalCompound:standardIn... |
CFOYWRHIYXMDOT-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCOC(=O)N1C=CN(C)C1=S
|
|
chemicalCompound:molecularF... |
C7H10N2O2S
|
|
chemicalCompound:moleculeId |
517099
|
|
chemicalCompound:mwFreebase |
186.232
|
|
chemicalCompound:alogp |
1.202
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
64.87
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
0.156
|
|
chemicalCompound:acdLogD |
0.156
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
186.232
|
|
chemicalCompound:chemblId |
CHEMBL508102
|
|
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:prefName |
CARBIMAZOLE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:2397439,
activity:3655183,
activity:4867710,
activity:5317172,
activity:5318123,
activity:5319074,
activity:5990254,
activity:6007663,
activity:6027711,
activity:6031085,
activity:6071733,
activity:7553657,
activity:7601472,
activity:7601473,
activity:7601474,
activity:7601475,
activity:7601476,
activity:7601477,
activity:7601478,
activity:7601479,
activity:7601480,
activity:7601481,
activity:7601482,
activity:7601483,
activity:7601484,
activity:7601485,
activity:7601486,
activity:7601487,
activity:7601488,
activity:7601489,
activity:7601490,
activity:7601491,
activity:7601492,
activity:7601493,
activity:7601494,
activity:7601495,
activity:7601496,
activity:7601497,
activity:7601498,
activity:7601499,
activity:7601500,
activity:7601501,
activity:7601502,
activity:7601503,
activity:7601504,
activity:7601505,
activity:7601506,
activity:7601507,
activity:7601508,
activity:7601509,
activity:7601510,
activity:7601511,
activity:7601512,
activity:7601513,
activity:7601514,
activity:7601515,
activity:7601516,
activity:7605894,
activity:7605895,
activity:7605896,
activity:7605897,
activity:7605898,
activity:7605899,
activity:7605900,
activity:7605901
|
