General Information of the Compound
| Compound ID |
CP0057033
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2178950
Show/Hide
|
||||||||||||||||||
| Formula |
C19H21N3O3
|
||||||||||||||||||
| Molecular Weight |
339.395
|
||||||||||||||||||
| Canonical SMILES |
Cc1ncc(nc1-c1ccc(cc1)[C@H]1CC[C@@H](CC1)C(O)=O)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21N3O3/c1-11-17(22-16(10-21-11)18(20)23)14-6-2-12(3-7-14)13-4-8-15(9-5-13)19(24)25/h2-3,6-7,10,13,15H,4-5,8-9H2,1H3,(H2,20,23)(H,24,25)/t13-,15-
Show/Hide
|
||||||||||||||||||
| InChIKey |
VTFSQAMIYVLXMY-CTYIDZIISA-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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