General Information of the Compound
| Compound ID |
CP0270462
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-{(1,4-cis)-4-[4-(1H-Indol-4-yl)-piperazin-1-yl]-cyclohexyl}-1-methyl-1H-indole-5-carbonitrile
Show/Hide
|
||||||||||||||||||
| Formula |
C28H31N5
|
||||||||||||||||||
| Molecular Weight |
437.591
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31N5/c1-31-19-25(24-17-20(18-29)5-10-27(24)31)21-6-8-22(9-7-21)32-13-15-33(16-14-32)28-4-2-3-26-23(28)11-12-30-26/h2-5,10-12,17,19,21-22,30H,6-9,13-16H2,1H3/t21-,22+
Show/Hide
|
||||||||||||||||||
| InChIKey |
OTRPSWLBRPYFGX-SZPZYZBQSA-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