General Information of the Compound
| Compound ID |
CP0767213
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(5-(2-hydroxy-3-methoxybenzamido)-1-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)pentyl)thiazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C30H29N5O4S
|
||||||||||||||||||
| Molecular Weight |
555.66
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(C(=O)NCCCC[C@H](NC(=O)c2cncs2)c2ncc(-c3ccc4ccccc4c3)[nH]2)c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H29N5O4S/c1-39-25-11-6-9-22(27(25)36)29(37)32-14-5-4-10-23(35-30(38)26-17-31-18-40-26)28-33-16-24(34-28)21-13-12-19-7-2-3-8-20(19)15-21/h2-3,6-9,11-13,15-18,23,36H,4-5,10,14H2,1H3,(H,32,37)(H,33,34)(H,35,38)/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
STDQPWUOWNTNSH-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