General Information of the Compound
| Compound ID |
CP0462113
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
propyl (2R)-4-(4-chloro-2-phenylquinoline-7-carbonyl)-2-methylpiperazine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26ClN3O3
|
||||||||||||||||||
| Molecular Weight |
451.954
|
||||||||||||||||||
| Canonical SMILES |
CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26ClN3O3/c1-3-13-32-25(31)29-12-11-28(16-17(29)2)24(30)19-9-10-20-21(26)15-22(27-23(20)14-19)18-7-5-4-6-8-18/h4-10,14-15,17H,3,11-13,16H2,1-2H3/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VDMMUFCRWKQCLB-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