General Information of the Compound
| Compound ID |
CP0259505
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{1-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl}-1H-1,3-benzodiazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21FN4O
|
||||||||||||||||||
| Molecular Weight |
352.413
|
||||||||||||||||||
| Canonical SMILES |
CC1(CCN(Cc2ccccc2F)C1)c1nc2cccc(C(N)=O)c2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21FN4O/c1-20(9-10-25(12-20)11-13-5-2-3-7-15(13)21)19-23-16-8-4-6-14(18(22)26)17(16)24-19/h2-8H,9-12H2,1H3,(H2,22,26)(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BCCUYXQTHHGUHR-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