General Information of the Compound
| Compound ID |
CP0404256
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL78195
Show/Hide
|
||||||||||||||||||
| Formula |
C26H39Cl2N3O
|
||||||||||||||||||
| Molecular Weight |
480.524
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)C3CCCCCC3)CC2)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H39Cl2N3O/c27-23-8-5-9-24(25(23)28)31-18-16-30(17-19-31)15-14-20-10-12-22(13-11-20)29-26(32)21-6-3-1-2-4-7-21/h5,8-9,20-22H,1-4,6-7,10-19H2,(H,29,32)/t20-,22-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ARXSWHRTJLWTMT-AQYVVDRMSA-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
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor