General Information of the Compound
| Compound ID |
CP0367924
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R)-3-[[4-[(5,8-dichloro-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxabicyclo[2.2.2]octan-1-yl]methyl]-5-fluoro-3-hydroxy-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26Cl2FN3O5
|
||||||||||||||||||
| Molecular Weight |
562.425
|
||||||||||||||||||
| Canonical SMILES |
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc(Cl)c3OCCOc3c2Cl)Cn2c3c1c(F)cnc3ccc2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26Cl2FN3O5/c28-16-9-15(21(29)24-23(16)36-7-8-37-24)10-32-25-3-5-26(6-4-25,38-14-25)12-27(35)13-33-19(34)2-1-18-22(33)20(27)17(30)11-31-18/h1-2,9,11,32,35H,3-8,10,12-14H2/t25?,26?,27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NRYIJYCROVNGBI-RCSZBHJWSA-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