General Information of the Compound
| Compound ID |
CP0439720
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4'-Methyl-biphenyl-2-carboxylic acid [4-(1-acetyl-1,3,4,5-tetrahydro-azepino[4,3,2-cd]indole-6-carbonyl)-phenyl]-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H29N3O3
|
||||||||||||||||||
| Molecular Weight |
527.624
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)n1cc2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccc(C)cc4)cc3)c3cccc1c23
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H29N3O3/c1-22-12-14-24(15-13-22)28-8-3-4-9-29(28)33(39)35-27-18-16-25(17-19-27)34(40)36-20-6-7-26-21-37(23(2)38)31-11-5-10-30(36)32(26)31/h3-5,8-19,21H,6-7,20H2,1-2H3,(H,35,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BDCIHWVTQIZYTJ-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