|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8H,21-24H2/b17-11-,18-12+
|
|
chemicalCompound:standardIn... |
DVEXZJFMOKTQEZ-MJZABRMRSA-N
|
|
chemicalCompound:canonicalS... |
N\C(=C(/C#N)\C(=C(/N)\Sc1ccccc1N)\C#N)\Sc2ccccc2N
|
|
chemicalCompound:molecularF... |
C18 H16 N6 S2
|
|
chemicalCompound:moleculeId |
157660
|
|
chemicalCompound:mwFreebase |
380.49
|
|
chemicalCompound:alogp |
2.178
|
|
chemicalCompound:hba |
8
|
|
chemicalCompound:hbd |
4
|
|
chemicalCompound:psa |
202.26
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
1.49
|
|
chemicalCompound:acdLogD |
1.49
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
380.49
|
|
chemicalCompound:acdMostBpk... |
3.73
|
|
chemicalCompound:chemblId |
CHEMBL100473
|
|
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 |
U-0126
|
|
chemicalCompound:activity |
activity:190481,
activity:190482,
activity:190483,
activity:190484,
activity:190485,
activity:190486,
activity:190487,
activity:190488,
activity:197417,
activity:989305,
activity:989306,
activity:989307,
activity:989308,
activity:989309,
activity:989310,
activity:989311,
activity:1080596,
activity:1080597,
activity:1442154,
activity:1442155,
activity:1442156,
activity:1884909,
activity:1884917,
activity:2137203,
activity:2137205,
activity:2149366,
activity:2149367,
activity:2891686,
activity:2891757,
activity:2891839,
activity:2891910,
activity:2891981,
activity:2892899,
activity:2892970,
activity:2893041,
activity:2893112,
activity:2893183,
activity:2893756,
activity:2893827,
activity:2893898,
activity:2893969,
activity:2894040,
activity:2894537,
activity:2894608,
activity:2894679,
activity:2894723,
activity:2895613,
activity:2895684,
activity:2896291,
activity:2896362,
activity:2896433,
activity:2897395,
activity:2898318,
activity:2898389,
activity:2898463,
activity:2898537,
activity:2899459,
activity:2899529,
activity:2899600,
activity:2899671,
activity:2899742,
activity:2900665,
activity:2900736,
activity:2900807,
activity:2900878
|
