General Information of the Compound
| Compound ID |
CP0379114
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL315209
Show/Hide
|
||||||||||||||||||
| Formula |
C28H32FN3O
|
||||||||||||||||||
| Molecular Weight |
445.582
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccccc1\C=C\C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32FN3O/c29-27-4-2-1-3-24(27)9-12-28(33)31-26-10-6-21(7-11-26)13-16-32-17-14-23-8-5-22(20-30)19-25(23)15-18-32/h1-5,8-9,12,19,21,26H,6-7,10-11,13-18H2,(H,31,33)/b12-9+/t21-,26-
Show/Hide
|
||||||||||||||||||
| InChIKey |
UICAAFBEFWZYOJ-WFCPMTAMSA-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