General Information of the Compound
| Compound ID |
CP0240491
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-chloro-1-[[4-(1-methoxy-2-methylpropan-2-yl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21ClN2O3
|
||||||||||||||||||
| Molecular Weight |
372.852
|
||||||||||||||||||
| Canonical SMILES |
COCC(C)(C)c1ccc(Cn2c(cc3ncc(Cl)cc23)C(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21ClN2O3/c1-20(2,12-26-3)14-6-4-13(5-7-14)11-23-17-8-15(21)10-22-16(17)9-18(23)19(24)25/h4-10H,11-12H2,1-3H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PZCBWBPVRSFDET-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