General Information of the Compound
| Compound ID |
CP0380874
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3360652
Show/Hide
|
||||||||||||||||||
| Formula |
C20H25N3O2
|
||||||||||||||||||
| Molecular Weight |
339.439
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25N3O2/c1-13-5-3-4-6-17(13)18-11-14(2)22-20(23-18)21-12-15-7-9-16(10-8-15)19(24)25/h3-6,11,15-16H,7-10,12H2,1-2H3,(H,24,25)(H,21,22,23)/t15-,16-
Show/Hide
|
||||||||||||||||||
| InChIKey |
GQCMFJZTHXOKSA-WKILWMFISA-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