General Information of the Compound
| Compound ID |
CP0460490
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2-methyl-1,4-dihydro-1,6-naphthyridine-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18N4O2
|
||||||||||||||||||
| Molecular Weight |
346.39
|
||||||||||||||||||
| Canonical SMILES |
CCOc1nccc2NC(C)=C(C#N)[C@@H](c3ccc(cc3OC)C#N)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18N4O2/c1-4-26-20-19-16(7-8-23-20)24-12(2)15(11-22)18(19)14-6-5-13(10-21)9-17(14)25-3/h5-9,18,24H,4H2,1-3H3/t18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ANOXKDNMHLYCBG-GOSISDBHSA-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