General Information of the Compound
| Compound ID |
CP0483596
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Azetidine-3-carboxylic acid [(R)-1-(4-chloro-benzyl)-2-(4-cyclohexyl-4-[1,2,4]triazol-1-ylmethyl-piperidin-1-yl)-2-oxo-ethyl]-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H37ClN6O2
|
||||||||||||||||||
| Molecular Weight |
513.086
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(C[C@@H](NC(=O)C2CNC2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H37ClN6O2/c28-23-8-6-20(7-9-23)14-24(32-25(35)21-15-29-16-21)26(36)33-12-10-27(11-13-33,17-34-19-30-18-31-34)22-4-2-1-3-5-22/h6-9,18-19,21-22,24,29H,1-5,10-17H2,(H,32,35)/t24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KHNQSRNCDZKWEG-XMMPIXPASA-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