General Information of the Compound
| Compound ID |
CP0391436
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[2-[1-[2-chloro-4-fluoro-5-(methylsulfamoyl)benzoyl]-4-(3-fluorophenyl)piperidin-4-yl]ethyl]piperidin-4-yl]-3-(4-cyanophenyl)-N-prop-2-enylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H44ClF2N5O4S
|
||||||||||||||||||
| Molecular Weight |
752.328
|
||||||||||||||||||
| Canonical SMILES |
CNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)CCc3ccc(cc3)C#N)(CC2)c2cccc(F)c2)c(Cl)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H44ClF2N5O4S/c1-3-18-47(37(48)12-11-28-7-9-29(27-43)10-8-28)32-13-19-45(20-14-32)21-15-39(30-5-4-6-31(41)24-30)16-22-46(23-17-39)38(49)33-25-36(52(50,51)44-2)35(42)26-34(33)40/h3-10,24-26,32,44H,1,11-23H2,2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GEYMTAUFQWFXBC-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