|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C23H16N2O2/c1-16(25-15-24-21-10-6-5-9-20(21)23(25)27)22(26)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-15H,1H2
|
|
chemicalCompound:standardIn... |
XMGUPWMIYBAPSK-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
C=C(N1C=Nc2ccccc2C1=O)C(=O)c3ccc(cc3)c4ccccc4
|
|
chemicalCompound:molecularF... |
C23 H16 N2 O2
|
|
chemicalCompound:moleculeId |
52602
|
|
chemicalCompound:mwFreebase |
352.385
|
|
chemicalCompound:alogp |
4.193
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
49.74
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
4.248
|
|
chemicalCompound:acdLogD |
4.248
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
352.385
|
|
chemicalCompound:chemblId |
CHEMBL37097
|
|
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 |
|
