General Information of the Compound
| Compound ID |
CP0101920
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(3-chloro-2-methylphenyl)methyl]-2-methyl-5-morpholin-4-ylimidazo[4,5-b]pyridine-7-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21ClN4O3
|
||||||||||||||||||
| Molecular Weight |
400.866
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc2c(cc(nc2n1Cc1cccc(Cl)c1C)N1CCOCC1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21ClN4O3/c1-12-14(4-3-5-16(12)21)11-25-13(2)22-18-15(20(26)27)10-17(23-19(18)25)24-6-8-28-9-7-24/h3-5,10H,6-9,11H2,1-2H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BGMLXMYVQIYJDC-UHFFFAOYSA-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 | |||||||||||||||||||