General Information of the Compound
| Compound ID |
CP0514891
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,3aS,6aR)-1-(4-ethylphenyl)-5-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H23NO5
|
||||||||||||||||||
| Molecular Weight |
465.505
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(cc1)[C@H]1OC2([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(C)cc1)C(=O)c1ccccc1C2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H23NO5/c1-3-17-10-12-18(13-11-17)24-22-23(28(34)30(27(22)33)19-14-8-16(2)9-15-19)29(35-24)25(31)20-6-4-5-7-21(20)26(29)32/h4-15,22-24H,3H2,1-2H3/t22-,23-,24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QQUUWHSWDJLMMK-WXFUMESZSA-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