General Information of the Compound
| Compound ID |
CP0208718
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-methyl-2-[2-[4-(2-oxo-1,3,4,5-tetrahydrobenzo[cd]indol-2a-yl)butyl]-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H34N4O2
|
||||||||||||||||||
| Molecular Weight |
470.617
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)Cn1c2CN(CCCCC34CCCc5cccc(NC3=O)c45)CCc2c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H34N4O2/c1-30-26(34)19-33-24-12-3-2-10-21(24)22-13-17-32(18-25(22)33)16-5-4-14-29-15-7-9-20-8-6-11-23(27(20)29)31-28(29)35/h2-3,6,8,10-12H,4-5,7,9,13-19H2,1H3,(H,30,34)(H,31,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WTHVGNDEIMLIHE-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