|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C24H19N3O/c1-16-12-14-18(15-13-16)27-23-19-10-6-7-11-20(19)26(2)24(28)21(23)22(25-27)17-8-4-3-5-9-17/h3-15H,1-2H3
|
|
chemicalCompound:standardIn... |
OCKXCCCHLRJKFX-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN1C(=O)c2c(nn(c3ccc(C)cc3)c2c4ccccc14)c5ccccc5
|
|
chemicalCompound:molecularF... |
C24 H19 N3 O
|
|
chemicalCompound:moleculeId |
73773
|
|
chemicalCompound:mwFreebase |
365.427
|
|
chemicalCompound:alogp |
5.46
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
38.13
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.683
|
|
chemicalCompound:acdLogD |
5.683
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
365.427
|
|
chemicalCompound:chemblId |
CHEMBL299156
|
|
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 |
|
