General Information of the Compound
| Compound ID |
CP0531602
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[[(2S)-2-[(4-phenylmethoxybenzoyl)amino]-2-(4-phenylmethoxyphenyl)acetyl]amino]methyl]benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C37H33N3O5
|
||||||||||||||||||
| Molecular Weight |
599.687
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)c2ccc(OCc3ccccc3)cc2)c2ccc(OCc3ccccc3)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H33N3O5/c38-35(41)30-13-11-26(12-14-30)23-39-37(43)34(29-15-19-32(20-16-29)44-24-27-7-3-1-4-8-27)40-36(42)31-17-21-33(22-18-31)45-25-28-9-5-2-6-10-28/h1-22,34H,23-25H2,(H2,38,41)(H,39,43)(H,40,42)/t34-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NXKMWBRRZCFFBU-UMSFTDKQSA-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 | |||||||||||||||||||
| 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