General Information of the Compound
| Compound ID |
CP0503585
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3aS,9bR)-2-[(4-fluorophenyl)methyl]-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17FN2O
|
||||||||||||||||||
| Molecular Weight |
308.356
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(CN2C[C@H]3COc4ccc(cc4[C@@H]3C2)C#N)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17FN2O/c20-16-4-1-13(2-5-16)9-22-10-15-12-23-19-6-3-14(8-21)7-17(19)18(15)11-22/h1-7,15,18H,9-12H2/t15-,18+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UVDIFPYXVNSROD-MAUKXSAKSA-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