General Information of the Compound
| Compound ID |
CP0388668
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-(6-hydroxynaphthalen-2-yl)propanamido)-5-propylcyclohex-1-enecarboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27NO4
|
||||||||||||||||||
| Molecular Weight |
381.472
|
||||||||||||||||||
| Canonical SMILES |
CCCC1CCC(NC(=O)CCc2ccc3cc(O)ccc3c2)=C(C1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27NO4/c1-2-3-15-5-10-21(20(13-15)23(27)28)24-22(26)11-6-16-4-7-18-14-19(25)9-8-17(18)12-16/h4,7-9,12,14-15,25H,2-3,5-6,10-11,13H2,1H3,(H,24,26)(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LNEZFHLVXLOKRG-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