General Information of the Compound
| Compound ID |
CP0079827
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-amino-N-(2-(benzyloxy)-1-(2-(3-(2-(methylsulfonamido)phenyl)propyl)-2H-tetrazol-5-yl)ethyl)-2-methylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H33N7O4S
|
||||||||||||||||||
| Molecular Weight |
515.64
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CCCc2ccccc2NS(C)(=O)=O)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H33N7O4S/c1-24(2,25)23(32)26-21(17-35-16-18-10-5-4-6-11-18)22-27-30-31(28-22)15-9-13-19-12-7-8-14-20(19)29-36(3,33)34/h4-8,10-12,14,21,29H,9,13,15-17,25H2,1-3H3,(H,26,32)/t21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CQAHZJYSVUUANW-OAQYLSRUSA-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