|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H10ClNO3/c12-8-9(11(15)16-10(8)14)13-6-7-4-2-1-3-5-7/h1-5,11,14-15H,6H2/b13-9+
|
|
chemicalCompound:standardIn... |
LTASDUDEPCCMHP-UKTHLTGXSA-N
|
|
chemicalCompound:canonicalS... |
OC1OC(=C(Cl)/C/1=N\Cc2ccccc2)O
|
|
chemicalCompound:molecularF... |
C11 H10 Cl N O3
|
|
chemicalCompound:moleculeId |
300907
|
|
chemicalCompound:mwFreebase |
239.655
|
|
chemicalCompound:alogp |
2.184
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
62.05
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
3.26
|
|
chemicalCompound:acdLogP |
2.333
|
|
chemicalCompound:acdLogD |
1
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
239.655
|
|
chemicalCompound:acdMostBpk... |
7.208
|
|
chemicalCompound:chemblId |
CHEMBL360995
|
|
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:1425841,
activity:1425842,
activity:1425843,
activity:1425844,
activity:1425945,
activity:1425946,
activity:1425947,
activity:1425948,
activity:1425949,
activity:1425950,
activity:1425951,
activity:1425952,
activity:1425953,
activity:1425954,
activity:1425955,
activity:1425956,
activity:1425957,
activity:1425958,
activity:1425959,
activity:1425960,
activity:1425961,
activity:1425962,
activity:1425963,
activity:1425964,
activity:1426371,
activity:1426372,
activity:1426373,
activity:1426374,
activity:1426375,
activity:1426376,
activity:1426377,
activity:1426378,
activity:1426379
|
