General Information of the Compound
| Compound ID |
CP0523828
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5-methoxy-1-benzofuran-2-yl)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 |
C31H31N3O5
|
||||||||||||||||||
| Molecular Weight |
525.605
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2oc(COC(=O)N[C@](C)(Cc3c[nH]c4ccccc34)C(=O)N[C@@H](C)c3ccccc3)cc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H31N3O5/c1-20(21-9-5-4-6-10-21)33-29(35)31(2,17-23-18-32-27-12-8-7-11-26(23)27)34-30(36)38-19-25-16-22-15-24(37-3)13-14-28(22)39-25/h4-16,18,20,32H,17,19H2,1-3H3,(H,33,35)(H,34,36)/t20-,31+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YQBJODHLZSHBFJ-PKHCJMHPSA-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