General Information of the Compound
| Compound ID |
CP0402775
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1N-{2-(1H-3-indolyl)-1-[2-methoxybenzyl(methyl)carboxamidomethyl]ethyl}-2-(4-acetylphenoxy)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H33N3O5
|
||||||||||||||||||
| Molecular Weight |
527.621
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(cc1)C(C)=O)C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H33N3O5/c1-21(35)23-12-14-27(15-13-23)39-20-31(37)33-26(16-25-17-32-29-10-6-5-9-28(25)29)19-34(22(2)36)18-24-8-4-7-11-30(24)38-3/h4-15,17,26,32H,16,18-20H2,1-3H3,(H,33,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MAVDAPGOKWWCQV-UHFFFAOYSA-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