|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H11ClN2O/c18-17-13(11-12-5-1-2-6-14(12)20-17)8-9-16(21)15-7-3-4-10-19-15/h1-11H/b9-8+
|
|
chemicalCompound:standardIn... |
CAJRXLANNZXAML-CMDGGOBGSA-N
|
|
chemicalCompound:canonicalS... |
Clc1nc2ccccc2cc1\C=C\C(=O)c3ccccn3
|
|
chemicalCompound:molecularF... |
C17H11ClN2O
|
|
chemicalCompound:moleculeId |
1148762
|
|
chemicalCompound:mwFreebase |
294.735
|
|
chemicalCompound:alogp |
4.039
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
42.85
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
2.666
|
|
chemicalCompound:acdLogD |
2.666
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
294.735
|
|
chemicalCompound:acdMostBpk... |
2.247
|
|
chemicalCompound:chemblId |
CHEMBL1782109
|
|
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 |
|
