General Information of the Compound
| Compound ID |
CP0569794
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[(1S)-1-[5-(7-chloro-2-methylquinolin-6-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C31H40ClN5O2
|
||||||||||||||||||
| Molecular Weight |
550.147
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cc2ccc(C)nc2cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H40ClN5O2/c1-4-22(38)8-6-5-7-9-26(36-30(39)24-18-31(24)12-14-37(3)15-13-31)29-33-19-28(35-29)23-16-21-11-10-20(2)34-27(21)17-25(23)32/h10-11,16-17,19,24,26H,4-9,12-15,18H2,1-3H3,(H,33,35)(H,36,39)/t24-,26+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KBVMOQFPXPZERR-RSXGOPAZSA-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