General Information of the Compound
| Compound ID |
CP0377725
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylmethyl)-7,8-dihydro-3H-6,9-dioxa-3-aza-cyclopenta[a]naphthalene-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26N4O5
|
||||||||||||||||||
| Molecular Weight |
462.506
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26N4O5/c30-23(31)20-12-18-19(27-20)6-7-21-22(18)34-17(14-33-21)13-28-10-8-25(9-11-28)24(32)26-15-29(25)16-4-2-1-3-5-16/h1-7,12,17,27H,8-11,13-15H2,(H,26,32)(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UXGIBVBRPWLFHU-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: PT01005, D(2) dopamine receptor