General Information of the Compound
| Compound ID |
CP0494781
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid (3-{4-[2-(4-cyano-5-oxy-furazan-3-ylmethoxy)-phenyl]-piperazin-1-yl}-propyl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H32N6O6
|
||||||||||||||||||
| Molecular Weight |
620.666
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCc1no[n+]([O-])c1C#N)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H32N6O6/c1-23-31(41)25-11-7-12-26(33(25)45-32(23)24-9-3-2-4-10-24)34(42)36-15-8-16-38-17-19-39(20-18-38)28-13-5-6-14-30(28)44-22-27-29(21-35)40(43)46-37-27/h2-7,9-14H,8,15-20,22H2,1H3,(H,36,42)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QINUQIXOUYBPRY-UHFFFAOYSA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor