General Information of the Compound
| Compound ID |
CP0490762
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(2-fluoropyridin-3-yl)-2-(3-(4'-hydroxybiphenyl-4-yl)propanamido)cyclohex-1-enecarboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H25FN2O4
|
||||||||||||||||||
| Molecular Weight |
460.505
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1=C(CCC(C1)c1cccnc1F)NC(=O)CCc1ccc(cc1)-c1ccc(O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H25FN2O4/c28-26-22(2-1-15-29-26)20-10-13-24(23(16-20)27(33)34)30-25(32)14-5-17-3-6-18(7-4-17)19-8-11-21(31)12-9-19/h1-4,6-9,11-12,15,20,31H,5,10,13-14,16H2,(H,30,32)(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CHKUMLQAKBGMAW-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