General Information of the Compound
| Compound ID |
CP0540419
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL521959
Show/Hide
|
||||||||||||||||||
| Formula |
C25H21N3O2
|
||||||||||||||||||
| Molecular Weight |
395.462
|
||||||||||||||||||
| Canonical SMILES |
O=C1O[C@]2(CC[C@@H](CC2)c2nc3cc(ccc3[nH]2)-c2cccnc2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21N3O2/c29-24-19-5-1-2-6-20(19)25(30-24)11-9-16(10-12-25)23-27-21-8-7-17(14-22(21)28-23)18-4-3-13-26-15-18/h1-8,13-16H,9-12H2,(H,27,28)/t16-,25-
Show/Hide
|
||||||||||||||||||
| InChIKey |
DJRLKPRCVWGJAO-ODAJSGAPSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound