General Information of the Compound
| Compound ID |
CP0350774
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]-5-[(2-methylsulfanylbenzoyl)amino]pentyl]-1,3-thiazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C29H28N6O4S2
|
||||||||||||||||||
| Molecular Weight |
588.715
|
||||||||||||||||||
| Canonical SMILES |
COc1nc2ccccc2cc1-c1nnc(o1)[C@H](CCCCNC(=O)c1ccccc1SC)NC(=O)c1cncs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H28N6O4S2/c1-38-27-20(15-18-9-3-5-11-21(18)33-27)28-34-35-29(39-28)22(32-26(37)24-16-30-17-41-24)12-7-8-14-31-25(36)19-10-4-6-13-23(19)40-2/h3-6,9-11,13,15-17,22H,7-8,12,14H2,1-2H3,(H,31,36)(H,32,37)/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CSVYUPITSFDKSW-QFIPXVFZSA-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