General Information of the Compound
| Compound ID |
CP0314143
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(cyclopropylmethyl)-N-[4-[1,1,1-trifluoro-2-hydroxy-4-(4-methylsulfonylphenyl)but-3-yn-2-yl]phenyl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H24F3NO5S2
|
||||||||||||||||||
| Molecular Weight |
563.619
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)C#CC(O)(c1ccc(cc1)N(CC1CC1)S(=O)(=O)c1ccccc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H24F3NO5S2/c1-37(33,34)24-15-9-20(10-16-24)17-18-26(32,27(28,29)30)22-11-13-23(14-12-22)31(19-21-7-8-21)38(35,36)25-5-3-2-4-6-25/h2-6,9-16,21,32H,7-8,19H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NMMZNDAQGGNURI-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