General Information of the Compound
| Compound ID |
CP0916541
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2,4-Dichloro-phenyl)-4-((1R,2S,6R,7S)-dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H16Cl2N2O3
|
||||||||||||||||||
| Molecular Weight |
427.287
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccc(Cl)cc1Cl)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H16Cl2N2O3/c23-14-5-8-17(16(24)10-14)25-20(27)11-3-6-15(7-4-11)26-21(28)18-12-1-2-13(9-12)19(18)22(26)29/h1-8,10,12-13,18-19H,9H2,(H,25,27)/t12-,13+,18-,19+
Show/Hide
|
||||||||||||||||||
| InChIKey |
WHGXWNFIVVOAEW-QXUMQBBKSA-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