General Information of the Compound
| Compound ID |
CP0100761
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-(4-cyano-2-methylsulfonylbenzoyl)piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24F3N3O5S2
|
||||||||||||||||||
| Molecular Weight |
555.6
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1cc(ccc1C(=O)N1CCC(CC1)N(C1CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24F3N3O5S2/c1-36(32,33)22-13-16(15-28)5-8-21(22)23(31)29-11-9-19(10-12-29)30(18-6-7-18)37(34,35)20-4-2-3-17(14-20)24(25,26)27/h2-5,8,13-14,18-19H,6-7,9-12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
AVZOEQJHSHEAPW-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