General Information of the Compound
| Compound ID |
CP0455628
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[(1R,2R)-2-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26Cl2N4O
|
||||||||||||||||||
| Molecular Weight |
457.405
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(N2CCN(C[C@@H]3C[C@H]3CNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26Cl2N4O/c25-19-5-3-7-22(23(19)26)30-10-8-29(9-11-30)15-18-12-17(18)14-27-24(31)21-13-16-4-1-2-6-20(16)28-21/h1-7,13,17-18,28H,8-12,14-15H2,(H,27,31)/t17-,18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XPILIRKQJUBSIN-ROUUACIJSA-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
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor