General Information of the Compound
| Compound ID |
CP0957866
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-Ethylphenyl)-3-[(4-phenylpiperazinyl)methyl]-1H-indole fumarate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H33N3O4
|
||||||||||||||||||
| Molecular Weight |
511.622
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccccc1-n1cc(CN2CCN(c3ccccc3)CC2)c2ccccc21.O=C(O)/C=C/C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29N3.C4H4O4/c1-2-22-10-6-8-14-26(22)30-21-23(25-13-7-9-15-27(25)30)20-28-16-18-29(19-17-28)24-11-4-3-5-12-24;5-3(6)1-2-4(7)8/h3-15,21H,2,16-20H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
Show/Hide
|
||||||||||||||||||
| InChIKey |
AOKINOMXKGTXTL-WLHGVMLRSA-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