General Information of the Compound
| Compound ID |
CP0577440
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-6-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C31H41N5O2
|
||||||||||||||||||
| Molecular Weight |
515.702
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2nc(C)ccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H41N5O2/c1-4-24(37)8-6-5-7-9-27(35-30(38)25-19-31(25)14-16-36(3)17-15-31)29-32-20-28(34-29)23-12-13-26-22(18-23)11-10-21(2)33-26/h10-13,18,20,25,27H,4-9,14-17,19H2,1-3H3,(H,32,34)(H,35,38)/t25-,27+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KQVHRQCACSBEJB-VPUSJEBWSA-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: PT00835, Histone deacetylase 2
Protein ID: PT00995, Histone deacetylase 3