General Information of the Compound
| Compound ID |
CP0511589
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H28N4O
|
||||||||||||||||||
| Molecular Weight |
352.482
|
||||||||||||||||||
| Canonical SMILES |
CN([C@@H]1CCN(C1)C1CCCC1)C(=O)c1ccc(Cn2cccn2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H28N4O/c1-23(20-11-14-24(16-20)19-5-2-3-6-19)21(26)18-9-7-17(8-10-18)15-25-13-4-12-22-25/h4,7-10,12-13,19-20H,2-3,5-6,11,14-16H2,1H3/t20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MTGNCHHZOJAEKO-HXUWFJFHSA-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