|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H11NO/c18-11-12-4-6-13(7-5-12)14-8-9-16-15(10-14)2-1-3-17(16)19/h1-10,19H
|
|
chemicalCompound:standardIn... |
XFPCBZFIUZHKTK-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1cccc2cc(ccc12)c3ccc(cc3)C#N
|
|
chemicalCompound:molecularF... |
C17H11NO
|
|
chemicalCompound:moleculeId |
1058794
|
|
chemicalCompound:mwFreebase |
245.275
|
|
chemicalCompound:alogp |
3.893
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
44.02
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.135
|
|
chemicalCompound:acdLogP |
4.061
|
|
chemicalCompound:acdLogD |
4.053
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
245.275
|
|
chemicalCompound:chemblId |
CHEMBL1644036
|
|
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 |
|
