General Information of the Compound
| Compound ID |
CP0675470
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Methyl 2-((1H-Pyrazol-1-yl)methyl)-4-(2-chloro-4-fluorophenyl)-5-cyano-6-methyl-1,4-dihydropyridine-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H16ClFN4O2
|
||||||||||||||||||
| Molecular Weight |
386.814
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C1=C(Cn2cccn2)NC(C)=C(C#N)C1c1ccc(F)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16ClFN4O2/c1-11-14(9-22)17(13-5-4-12(21)8-15(13)20)18(19(26)27-2)16(24-11)10-25-7-3-6-23-25/h3-8,17,24H,10H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DSSRNDXICGBGMR-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