General Information of the Compound
| Compound ID |
CP0433285
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24ClN3O2
|
||||||||||||||||||
| Molecular Weight |
385.895
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24ClN3O2/c1-15-3-2-4-17(11-15)21(27)23-12-20(26)24-19-9-10-25(14-19)13-16-5-7-18(22)8-6-16/h2-8,11,19H,9-10,12-14H2,1H3,(H,23,27)(H,24,26)/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HFRUDMQWRWCIRG-LJQANCHMSA-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