General Information of the Compound
| Compound ID |
CP0467032
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[3-(methanesulfonamido)phenyl]methyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H32N4O5S
|
||||||||||||||||||
| Molecular Weight |
548.665
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1cccc(NS(C)(=O)=O)c1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H32N4O5S/c1-20(22-11-5-4-6-12-22)31-27(34)29(2,17-23-18-30-26-15-8-7-14-25(23)26)32-28(35)38-19-21-10-9-13-24(16-21)33-39(3,36)37/h4-16,18,20,30,33H,17,19H2,1-3H3,(H,31,34)(H,32,35)/t20-,29+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UNGJRWQXFMCGEL-AFJIDDCJSA-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