General Information of the Compound
| Compound ID |
CP0427839
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-nitrobenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21ClN4O4
|
||||||||||||||||||
| Molecular Weight |
416.865
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21ClN4O4/c21-16-6-4-14(5-7-16)12-24-9-8-17(13-24)23-19(26)11-22-20(27)15-2-1-3-18(10-15)25(28)29/h1-7,10,17H,8-9,11-13H2,(H,22,27)(H,23,26)/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LHKSOGKNOXWLED-QGZVFWFLSA-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