General Information of the Compound
| Compound ID |
CP0414497
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 2-amino-4-[5-chloro-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H25Cl2N5O3
|
||||||||||||||||||
| Molecular Weight |
538.435
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)C1=C(N)N(C2=C(C1c1c(C)nn(c1Cl)-c1ccc(Cl)cc1)C(=O)CCC2)c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H25Cl2N5O3/c1-3-37-27(36)24-23(21-15(2)32-34(25(21)29)17-11-9-16(28)10-12-17)22-19(7-4-8-20(22)35)33(26(24)30)18-6-5-13-31-14-18/h5-6,9-14,23H,3-4,7-8,30H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HQVZBHPMKHSRBE-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