General Information of the Compound
| Compound ID |
CP0535243
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(Phenylacetylamino-methyl)-cyclohexanecarboxylic acid (6-fluoro-1-pyridin-3-ylmethyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-amide
Show/Hide
|
||||||||||||||||||
| Formula |
C32H36FN3O2
|
||||||||||||||||||
| Molecular Weight |
513.657
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H36FN3O2/c33-27-13-14-28-26(19-27)12-15-30(29(28)17-24-7-4-16-34-20-24)36-32(38)25-10-8-23(9-11-25)21-35-31(37)18-22-5-2-1-3-6-22/h1-7,13-14,16,19-20,23,25,29-30H,8-12,15,17-18,21H2,(H,35,37)(H,36,38)/t23-,25-,29?,30?
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZAADWGVLBYQVJZ-PWDJHLKDSA-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 | |||||||||||||||||||
| 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