General Information of the Compound
| Compound ID |
CP0170943
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H36N2O4
|
||||||||||||||||||
| Molecular Weight |
428.573
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1(CCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H36N2O4/c28-22(26-25(24(30)31)14-8-9-15-25)20-16-19-12-6-1-2-7-13-21(19)27(23(20)29)17-18-10-4-3-5-11-18/h16,18H,1-15,17H2,(H,26,28)(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GJRWDZXBDAHESD-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