General Information of the Compound
| Compound ID |
CP0387746
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 3-[3-[(4-chlorophenyl)carbamoyl]piperidine-1-carbonyl]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21ClN2O4
|
||||||||||||||||||
| Molecular Weight |
400.862
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1cccc(c1)C(=O)N1CCCC(C1)C(=O)Nc1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21ClN2O4/c1-28-21(27)15-5-2-4-14(12-15)20(26)24-11-3-6-16(13-24)19(25)23-18-9-7-17(22)8-10-18/h2,4-5,7-10,12,16H,3,6,11,13H2,1H3,(H,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XMYFQOYPBIYMCP-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