General Information of the Compound
| Compound ID |
CP0343619
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 2-[(3S,5R)-4-(4-amino-3,5-dichlorobenzoyl)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24Cl2N4O3
|
||||||||||||||||||
| Molecular Weight |
451.354
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1cccnc1N1C[C@H](C)N([C@H](C)C1)C(=O)c1cc(Cl)c(N)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24Cl2N4O3/c1-4-30-21(29)15-6-5-7-25-19(15)26-10-12(2)27(13(3)11-26)20(28)14-8-16(22)18(24)17(23)9-14/h5-9,12-13H,4,10-11,24H2,1-3H3/t12-,13+
Show/Hide
|
||||||||||||||||||
| InChIKey |
OQNSPRXHGRSXHD-BETUJISGSA-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