General Information of the Compound
| Compound ID |
CP0499086
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-{4-[4-(3,5-Dichloro-4-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28Cl2N4O2
|
||||||||||||||||||
| Molecular Weight |
475.42
|
||||||||||||||||||
| Canonical SMILES |
COc1c(Cl)cc(cc1Cl)N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28Cl2N4O2/c1-32-23-20(25)13-18(14-21(23)26)30-10-8-29(9-11-30)7-3-2-4-17-15-28-22-6-5-16(24(27)31)12-19(17)22/h5-6,12-15,28H,2-4,7-11H2,1H3,(H2,27,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LIIZQDKCZCZHLB-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