General Information of the Compound
| Compound ID |
CP0893856
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-{(2R)-2-[3-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl}cyclopropanecarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H23F2NO5
|
||||||||||||||||||
| Molecular Weight |
479.479
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC1C[C@H](c2cccc(CO)c2)Oc2ccccc21)C1(c2ccc3c(c2)OC(F)(F)O3)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H23F2NO5/c28-27(29)34-22-9-8-18(13-24(22)35-27)26(10-11-26)25(32)30-20-14-23(17-5-3-4-16(12-17)15-31)33-21-7-2-1-6-19(20)21/h1-9,12-13,20,23,31H,10-11,14-15H2,(H,30,32)/t20?,23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DGNDJPPKJOAWAC-GWQXNCQPSA-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