General Information of the Compound
| Compound ID |
CP0496872
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2R,3R,5R,6R)-2-Amino-6-fluoro-3-(3,4,5-trichloro-benzyloxy)-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H13Cl3FNO5
|
||||||||||||||||||
| Molecular Weight |
412.628
|
||||||||||||||||||
| Canonical SMILES |
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cc(Cl)c(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H13Cl3FNO5/c16-7-1-5(2-8(17)10(7)18)4-25-9-3-6-11(14(6,19)12(21)22)15(9,20)13(23)24/h1-2,6,9,11H,3-4,20H2,(H,21,22)(H,23,24)/t6-,9-,11+,14-,15+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VFFUTZZRFFAGEK-JZRHBZRLSA-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