General Information of the Compound
| Compound ID |
CP0504352
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-cyano-2-(3-(6-hydroxynaphthalen-2-yl)propanamido)cyclohex-1-enecarboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20N2O4
|
||||||||||||||||||
| Molecular Weight |
364.401
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1=C(CCC(C1)C#N)NC(=O)CCc1ccc2cc(O)ccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20N2O4/c22-12-14-2-7-19(18(10-14)21(26)27)23-20(25)8-3-13-1-4-16-11-17(24)6-5-15(16)9-13/h1,4-6,9,11,14,24H,2-3,7-8,10H2,(H,23,25)(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YAUGLHVHEFRRBY-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