General Information of the Compound
| Compound ID |
CP0257109
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 2-[(3S,5R)-4-(4-amino-3,5-dichlorobenzoyl)-3,5-dimethylpiperazin-1-yl]acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H23Cl2N3O3
|
||||||||||||||||||
| Molecular Weight |
388.295
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)CN1C[C@H](C)N([C@H](C)C1)C(=O)c1cc(Cl)c(N)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H23Cl2N3O3/c1-4-25-15(23)9-21-7-10(2)22(11(3)8-21)17(24)12-5-13(18)16(20)14(19)6-12/h5-6,10-11H,4,7-9,20H2,1-3H3/t10-,11+
Show/Hide
|
||||||||||||||||||
| InChIKey |
KVZJRHSMJYVALC-PHIMTYICSA-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