General Information of the Compound
| Compound ID |
CP0683120
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Methyl 4-(2-Chloro-4-fluorophenyl)-5-cyano-1,4-dihydro-2,6-dimethylpyridine-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H14ClFN2O2
|
||||||||||||||||||
| Molecular Weight |
320.751
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C1=C(C)NC(C)=C(C#N)C1c1ccc(F)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H14ClFN2O2/c1-8-12(7-19)15(11-5-4-10(18)6-13(11)17)14(9(2)20-8)16(21)22-3/h4-6,15,20H,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HIBGPRWWCKCJIN-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
Protein ID: PT00894, Androgen receptor
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT01154, Mineralocorticoid receptor
Protein ID: PT01172, Progesterone receptor