General Information of the Compound
| Compound ID |
CP0200691
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Methoxy-7-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-5H-9-thia-1,4,5,7-tetraaza-fluorene-6,8-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25N5O4S
|
||||||||||||||||||
| Molecular Weight |
479.562
|
||||||||||||||||||
| Canonical SMILES |
COc1cnc2sc3c([nH]c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c3=O)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25N5O4S/c1-32-17-5-3-4-14-15(17)7-6-13-11-28(12-16(13)14)8-9-29-23(30)21-19(27-24(29)31)20-22(34-21)25-10-18(26-20)33-2/h3-5,10,13,16H,6-9,11-12H2,1-2H3,(H,27,31)/t13-,16+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YUQDZLKVSOMLTN-XJKSGUPXSA-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: PT01849, Alpha-1B adrenergic receptor
Protein ID: PT02075, Alpha-1D adrenergic receptor