General Information of the Compound
| Compound ID |
CP0465674
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-chloro-3-fluorophenyl)-N-cyclobutylpyrrolo[2,3-b]pyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15ClFN3O
|
||||||||||||||||||
| Molecular Weight |
343.789
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(ccc1Cl)-n1c(cc2cccnc12)C(=O)NC1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15ClFN3O/c19-14-7-6-13(10-15(14)20)23-16(18(24)22-12-4-1-5-12)9-11-3-2-8-21-17(11)23/h2-3,6-10,12H,1,4-5H2,(H,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JLMQXPWGLPEJIZ-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 | |||||||||||||||||||
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