General Information of the Compound
| Compound ID |
CP0529653
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-2-methyl-N-[(1S)-1-[1-[4-(2-methylsulfonylethylamino)-4-oxobutyl]tetrazol-5-yl]-2-phenylmethoxyethyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H33N7O5S
|
||||||||||||||||||
| Molecular Weight |
495.606
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCS(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H33N7O5S/c1-21(2,22)20(30)24-17(15-33-14-16-8-5-4-6-9-16)19-25-26-27-28(19)12-7-10-18(29)23-11-13-34(3,31)32/h4-6,8-9,17H,7,10-15,22H2,1-3H3,(H,23,29)(H,24,30)/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HETCKCDPOYWPQB-QGZVFWFLSA-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