General Information of the Compound
| Compound ID |
CP0880497
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3a alpha,4beta,8beta,8a alpha)-4,5,6,7,8,8a-hexahydro-4,8-etheno-1H-cyclohepta[c]furan-1,3(3aH)-di-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H16N2O4
|
||||||||||||||||||
| Molecular Weight |
360.369
|
||||||||||||||||||
| Canonical SMILES |
O=C1[C@@H]2C3C=CC([C@H]4C[C@@H]34)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H16N2O4/c24-20-18-12-5-6-13(15-9-14(12)15)19(18)21(25)22(20)16-7-8-17(23(26)27)11-4-2-1-3-10(11)16/h1-8,12-15,18-19H,9H2/t12?,13?,14-,15+,18+,19-
Show/Hide
|
||||||||||||||||||
| InChIKey |
IHUKMUMJCMCXDV-DSMFUCBJSA-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