General Information of the Compound
| Compound ID |
CP0377825
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2368627
Show/Hide
|
||||||||||||||||||
| Formula |
C28H35ClF2N2O3S
|
||||||||||||||||||
| Molecular Weight |
553.115
|
||||||||||||||||||
| Canonical SMILES |
Cl.CS(=O)(=O)c1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3cc(F)cc(F)c3)CCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H34F2N2O3S.ClH/c1-36(34,35)27-8-5-22-11-14-32(15-12-23(22)18-27)13-10-20-2-6-26(7-3-20)31-28(33)9-4-21-16-24(29)19-25(30)17-21;/h4-5,8-9,16-20,26H,2-3,6-7,10-15H2,1H3,(H,31,33);1H/b9-4+;/t20-,26-;
Show/Hide
|
||||||||||||||||||
| InChIKey |
HWGPZRMHMOUQKX-CVPGWEHOSA-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