General Information of the Compound
| Compound ID |
CP0882462
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(1-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)-5-(2-(2,2,2-trifluoroethoxy)benzamido)pentyl)thiazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C31H28F3N5O3S
|
||||||||||||||||||
| Molecular Weight |
607.658
|
||||||||||||||||||
| Canonical SMILES |
O=C(N[C@@H](CCCCNC(=O)c1ccccc1OCC(F)(F)F)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H28F3N5O3S/c32-31(33,34)18-42-26-11-4-3-9-23(26)29(40)36-14-6-5-10-24(39-30(41)27-17-35-19-43-27)28-37-16-25(38-28)22-13-12-20-7-1-2-8-21(20)15-22/h1-4,7-9,11-13,15-17,19,24H,5-6,10,14,18H2,(H,36,40)(H,37,38)(H,39,41)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CCXFNJSHGTUHNE-DEOSSOPVSA-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 | |||||||||||||||||||
| 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
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT00835, Histone deacetylase 2
Protein ID: PT00995, Histone deacetylase 3