General Information of the Compound
| Compound ID |
CP0575057
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(2,6-dichlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-[(4-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H33Cl2N5O4S
|
||||||||||||||||||
| Molecular Weight |
666.631
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(Cc4ccc(cc4)S(C)(=O)=O)c3n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H33Cl2N5O4S/c1-4-39(5-2)17-18-44-25-13-11-24(12-14-25)37-33-36-20-23-19-27(30-28(34)7-6-8-29(30)35)32(41)40(31(23)38-33)21-22-9-15-26(16-10-22)45(3,42)43/h6-16,19-20H,4-5,17-18,21H2,1-3H3,(H,36,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VNJSERLEIJDSJV-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