General Information of the Compound
| Compound ID |
CP0957880
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3,5-bis(trifluoromethyl)phenyl)-2-(2,6-dimethylphenyl)-1-oxooctahydropyrano[3,4-c]pyrrole-3a-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22F6N2O3
|
||||||||||||||||||
| Molecular Weight |
500.439
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(C)c1N1CC2(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)COCCC2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22F6N2O3/c1-13-4-3-5-14(2)19(13)32-11-22(12-35-7-6-18(22)20(32)33)21(34)31-17-9-15(23(25,26)27)8-16(10-17)24(28,29)30/h3-5,8-10,18H,6-7,11-12H2,1-2H3,(H,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BKRFITBMRNMJTN-UHFFFAOYSA-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