General Information of the Compound
| Compound ID |
CP0422797
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,4R)-6-Chloro-2-(6,7-dichloro-3-hydroxy-2,2-dimethyl-chroman-4-yl)-benzo[d]isoxazol-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H14Cl3NO4
|
||||||||||||||||||
| Molecular Weight |
414.672
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)Oc2cc(Cl)c(Cl)cc2[C@H]([C@@H]1O)n1oc2cc(Cl)ccc2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H14Cl3NO4/c1-18(2)16(23)15(10-6-11(20)12(21)7-13(10)25-18)22-17(24)9-4-3-8(19)5-14(9)26-22/h3-7,15-16,23H,1-2H3/t15-,16+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DRUFGAQCTMUDIN-CVEARBPZSA-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