General Information of the Compound
| Compound ID |
CP0417997
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,6-difluoro-N-[[(1S,5R)-3-(4-propylsulfonylpiperazin-1-yl)-3-bicyclo[3.1.0]hexanyl]methyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H29F2N3O3S
|
||||||||||||||||||
| Molecular Weight |
441.544
|
||||||||||||||||||
| Canonical SMILES |
CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(F)cccc2F)C[C@@H]2C[C@@H]2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H29F2N3O3S/c1-2-10-30(28,29)26-8-6-25(7-9-26)21(12-15-11-16(15)13-21)14-24-20(27)19-17(22)4-3-5-18(19)23/h3-5,15-16H,2,6-14H2,1H3,(H,24,27)/t15-,16+,21?
Show/Hide
|
||||||||||||||||||
| InChIKey |
NBSHHMOAKVDMBL-GWTOYCKXSA-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