|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H
|
|
chemicalCompound:standardIn... |
LAZPBGZRMVRFKY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.C1CN2CC(N=C2S1)c3ccccc3
|
|
chemicalCompound:molecularF... |
C11H13ClN2S
|
|
chemicalCompound:moleculeId |
544603
|
|
chemicalCompound:mwFreebase |
204.291
|
|
chemicalCompound:alogp |
2.29
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
40.9
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.84
|
|
chemicalCompound:acdLogD |
-0.063
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
240.752
|
|
chemicalCompound:acdMostBpk... |
9.995
|
|
chemicalCompound:chemblId |
CHEMBL554891
|
|
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 |
TETRAMISOLE HYDROCHLORIDE
|
|
chemicalCompound:activity |
activity:473416,
activity:473417,
activity:473418,
activity:3480732,
activity:3490850,
activity:3640170,
activity:3989064,
activity:4069520,
activity:4156038,
activity:4278738,
activity:4358530,
activity:4449478,
activity:4628493,
activity:5029261,
activity:5570024,
activity:5699544,
activity:5713545,
activity:6492960,
activity:7005049,
activity:7187238,
activity:7444922,
activity:7459170,
activity:7491403,
activity:7510895,
activity:8357123,
activity:10066519
|
