General Information of the Compound
| Compound ID |
CP0840086
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(5-(2-hydroxybenzamido)-1-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)pentyl)thiazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C29H27N5O3S
|
||||||||||||||||||
| Molecular Weight |
525.634
|
||||||||||||||||||
| Canonical SMILES |
O=C(N[C@@H](CCCCNC(=O)c1ccccc1O)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H27N5O3S/c35-25-11-4-3-9-22(25)28(36)31-14-6-5-10-23(34-29(37)26-17-30-18-38-26)27-32-16-24(33-27)21-13-12-19-7-1-2-8-20(19)15-21/h1-4,7-9,11-13,15-18,23,35H,5-6,10,14H2,(H,31,36)(H,32,33)(H,34,37)/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NIXOIBDALBDEAM-QHCPKHFHSA-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