|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
|
|
chemicalCompound:standardIn... |
JOFWLTCLBGQGBO-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1nnc2CN=C(c3ccccc3Cl)c4cc(Cl)ccc4n12
|
|
chemicalCompound:molecularF... |
C17H12Cl2N4
|
|
chemicalCompound:moleculeId |
27419
|
|
chemicalCompound:mwFreebase |
343.21
|
|
chemicalCompound:alogp |
4.177
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
43.07
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.082
|
|
chemicalCompound:acdLogD |
2.082
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
343.21
|
|
chemicalCompound:acdMostBpk... |
2.29
|
|
chemicalCompound:chemblId |
CHEMBL646
|
|
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... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
TRIAZOLAM
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1982
|
|
chemicalCompound:activity |
activity:198344,
activity:198345,
activity:198346,
activity:198347,
activity:198348,
activity:198349,
activity:219880,
activity:464913,
activity:464914,
activity:464915,
activity:551051,
activity:551052,
activity:551053,
activity:565520,
activity:599586,
activity:599587,
activity:599588,
activity:599589,
activity:599590,
activity:684273,
activity:684274,
activity:684275,
activity:869837,
activity:869838,
activity:869839,
activity:869840,
activity:1086071,
activity:2060029,
activity:2211932,
activity:2211951,
activity:2461330,
activity:2461351,
activity:2469057,
activity:2672751,
activity:2672752,
activity:2979667,
activity:2979675,
activity:2990642,
activity:2990653,
activity:2993225,
activity:2993251,
activity:2993451,
activity:2994714,
activity:2994767,
activity:3216115,
activity:3216206,
activity:3217433,
activity:3390708,
activity:3390709,
activity:3390710,
activity:3390711,
activity:3390712,
activity:3390713,
activity:3390714,
activity:3390715
|
