General Information of the Compound
| Compound ID |
CP0510446
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-4-[5-chloro-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H20Cl2N6O
|
||||||||||||||||||
| Molecular Weight |
491.382
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(c(Cl)c1C1C(C#N)=C(N)N(C2=C1C(=O)CCC2)c1cccnc1)-c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H20Cl2N6O/c1-14-21(24(27)33(31-14)16-9-7-15(26)8-10-16)22-18(12-28)25(29)32(17-4-3-11-30-13-17)19-5-2-6-20(34)23(19)22/h3-4,7-11,13,22H,2,5-6,29H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PVWMJURKZHBAEB-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