General Information of the Compound
| Compound ID |
CP0434572
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-2-methyl-N-[(1S)-1-[1-[4-oxo-4-(3-phenylpropylamino)butyl]tetrazol-5-yl]-2-phenylmethoxyethyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H37N7O3
|
||||||||||||||||||
| Molecular Weight |
507.639
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H37N7O3/c1-27(2,28)26(36)30-23(20-37-19-22-13-7-4-8-14-22)25-31-32-33-34(25)18-10-16-24(35)29-17-9-15-21-11-5-3-6-12-21/h3-8,11-14,23H,9-10,15-20,28H2,1-2H3,(H,29,35)(H,30,36)/t23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IXOXEJHAWDQWOR-HSZRJFAPSA-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