General Information of the Compound
| Compound ID |
CP0928234
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(5-(2,3-dihydro-1H-indene-4-carboxamido)-1-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)pentyl)thiazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C32H31N5O2S
|
||||||||||||||||||
| Molecular Weight |
549.7
|
||||||||||||||||||
| Canonical SMILES |
O=C(N[C@@H](CCCCNC(=O)c1cccc2c1CCC2)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H31N5O2S/c38-31(26-12-6-10-22-9-5-11-25(22)26)34-16-4-3-13-27(37-32(39)29-19-33-20-40-29)30-35-18-28(36-30)24-15-14-21-7-1-2-8-23(21)17-24/h1-2,6-8,10,12,14-15,17-20,27H,3-5,9,11,13,16H2,(H,34,38)(H,35,36)(H,37,39)/t27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QCDJQYMNCGDGFE-MHZLTWQESA-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