|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3
|
|
chemicalCompound:standardIn... |
FUSNMLFNXJSCDI-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN(C(=S)Oc1ccc2ccccc2c1)c3cccc(C)c3
|
|
chemicalCompound:molecularF... |
C19H17NOS
|
|
chemicalCompound:moleculeId |
134040
|
|
chemicalCompound:mwFreebase |
307.409
|
|
chemicalCompound:alogp |
6.289
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
44.56
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
5.142
|
|
chemicalCompound:acdLogD |
5.142
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
307.409
|
|
chemicalCompound:chemblId |
CHEMBL83668
|
|
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 |
TOLNAFTATE
|
|
chemicalCompound:activity |
activity:563391,
activity:563392,
activity:563393,
activity:831793,
activity:2122913,
activity:2385455,
activity:2420274,
activity:2420290,
activity:2420306,
activity:2420322,
activity:3643495,
activity:3666391,
activity:3798019,
activity:3936640,
activity:3943460,
activity:4019463,
activity:4268651,
activity:4501096,
activity:4501676,
activity:4528530,
activity:4543863,
activity:4634310,
activity:4973832,
activity:4993877,
activity:5025349,
activity:5042858,
activity:5059020,
activity:5072979,
activity:5387839,
activity:5586555,
activity:5694899,
activity:5803659,
activity:5877170,
activity:5958845,
activity:5967695,
activity:5979023,
activity:6007244,
activity:6007745,
activity:6066232,
activity:6066882,
activity:6069354,
activity:6625097,
activity:7040720,
activity:7546210,
activity:7815164,
activity:7815165,
activity:7815166,
activity:7815167,
activity:7815168,
activity:7815169,
activity:7815170,
activity:7815171,
activity:7815172,
activity:7815173,
activity:7815174,
activity:7815175,
activity:7815176,
activity:7815177,
activity:7815178,
activity:7815179,
activity:7815180,
activity:7815181,
activity:7815182,
activity:7815183,
activity:7815184,
activity:7815185
|
