General Information of the Compound
| Compound ID |
CP0011812
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl]-N-[2-(benzylamino)-2-oxoethyl]-3,5-dimethylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H36N4O3
|
||||||||||||||||||
| Molecular Weight |
596.731
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)cc(c1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H36N4O3/c1-26-19-27(2)21-33(20-26)38(45)42(25-36(43)40-23-28-9-5-3-6-10-28)24-29-13-15-31(16-14-29)37(44)41-35-22-32(17-18-34(35)39)30-11-7-4-8-12-30/h3-22H,23-25,39H2,1-2H3,(H,40,43)(H,41,44)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WAFVXFIYLRQEBZ-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