General Information of the Compound
| Compound ID |
CP0881223
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,6R)-4-(4-Nitro-naphthalen-1-yl)-4-aza-tricyclo[5.3.2.0*2,6*]dodec-11-ene-3,5-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18N2O4
|
||||||||||||||||||
| Molecular Weight |
362.385
|
||||||||||||||||||
| Canonical SMILES |
O=C1[C@@H]2C3C=CC(CCC3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18N2O4/c24-20-18-12-4-3-5-13(9-8-12)19(18)21(25)22(20)16-10-11-17(23(26)27)15-7-2-1-6-14(15)16/h1-2,6-13,18-19H,3-5H2/t12?,13?,18-,19+
Show/Hide
|
||||||||||||||||||
| InChIKey |
DPIBWBIMTOFSKN-HHOBWZPDSA-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