|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H10ClN3O/c15-11-7-5-10(6-8-11)14(19)9-18-13-4-2-1-3-12(13)16-17-18/h1-8H,9H2
|
|
chemicalCompound:standardIn... |
MNHUQWLYQCWPDS-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc(cc1)C(=O)Cn2nnc3ccccc23
|
|
chemicalCompound:molecularF... |
C14 H10 Cl N3 O
|
|
chemicalCompound:moleculeId |
339596
|
|
chemicalCompound:mwFreebase |
271.702
|
|
chemicalCompound:alogp |
3.561
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
47.78
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.325
|
|
chemicalCompound:acdLogD |
3.325
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
271.702
|
|
chemicalCompound:acdMostBpk... |
1.157
|
|
chemicalCompound:chemblId |
CHEMBL203543
|
|
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:activity |
activity:1684903,
activity:1684909,
activity:1684915,
activity:1684922,
activity:1684928,
activity:1684981,
activity:1684987,
activity:1684993,
activity:1684999,
activity:1685005,
activity:3698349,
activity:3833434,
activity:3861614,
activity:4713268,
activity:4905599,
activity:4932359,
activity:5954713,
activity:6700332,
activity:6785225,
activity:7311668,
activity:7402878
|
