General Information of the Compound
| Compound ID |
CP0176909
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(2R)-pyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H14N4O
|
||||||||||||||||||
| Molecular Weight |
230.271
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1cccc2nc([nH]c12)[C@H]1CCCN1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H14N4O/c13-11(17)7-3-1-4-8-10(7)16-12(15-8)9-5-2-6-14-9/h1,3-4,9,14H,2,5-6H2,(H2,13,17)(H,15,16)/t9-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HTZYXVMVVCKCTD-SECBINFHSA-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