General Information of the Compound
| Compound ID |
CP0354414
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl 1-[[5-(hydroxycarbamoyl)thiophen-2-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29N3O4S
|
||||||||||||||||||
| Molecular Weight |
443.569
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccc(s3)C(=O)NO)c3ccccc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29N3O4S/c1-22(2,3)30-21(28)25-12-10-23(11-13-25)15-26(18-7-5-4-6-17(18)23)14-16-8-9-19(31-16)20(27)24-29/h4-9,29H,10-15H2,1-3H3,(H,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SSEOONNFWOBUGO-UHFFFAOYSA-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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: PT01213, Histone deacetylase 6