General Information of the Compound
| Compound ID |
CP0906705
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-(4-(4-(2-(2-Fluoroethoxy)phenyl)piperazin-1-yl)but-2-en-1-yl)-5-hydroxy-1H-indole-2-carboxamide oxalic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31FN4O7
|
||||||||||||||||||
| Molecular Weight |
542.564
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC/C=C/CN1CCN(c2ccccc2OCCF)CC1)c1cc2cc(O)ccc2[nH]1.O=C(O)C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29FN4O3.C2H2O4/c26-9-16-33-24-6-2-1-5-23(24)30-14-12-29(13-15-30)11-4-3-10-27-25(32)22-18-19-17-20(31)7-8-21(19)28-22;3-1(4)2(5)6/h1-8,17-18,28,31H,9-16H2,(H,27,32);(H,3,4)(H,5,6)/b4-3+;
Show/Hide
|
||||||||||||||||||
| InChIKey |
SSOMOLFVWCHZST-BJILWQEISA-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