General Information of the Compound
| Compound ID |
CP0449091
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[(2S,3R)-1-(4-cyano-3-methoxyphenyl)-3-hydroxy-2-methylpyrrolidin-3-yl]-N-methylpyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22N4O3
|
||||||||||||||||||
| Molecular Weight |
366.421
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1ccc(cn1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22N4O3/c1-13-20(26,15-5-7-17(23-12-15)19(25)22-2)8-9-24(13)16-6-4-14(11-21)18(10-16)27-3/h4-7,10,12-13,26H,8-9H2,1-3H3,(H,22,25)/t13-,20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LDUKQKKGUQPSNE-RBZFPXEDSA-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