General Information of the Compound
| Compound ID |
CP0448713
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL312803
Show/Hide
|
||||||||||||||||||
| Formula |
C24H33N3O2S
|
||||||||||||||||||
| Molecular Weight |
427.614
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2cccs2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H33N3O2S/c1-29-22-10-8-21(9-11-22)27-16-14-26(15-17-27)13-12-19-4-6-20(7-5-19)25-24(28)23-3-2-18-30-23/h2-3,8-11,18-20H,4-7,12-17H2,1H3,(H,25,28)/t19-,20-
Show/Hide
|
||||||||||||||||||
| InChIKey |
KGBITRQPRBXBFJ-MXVIHJGJSA-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