General Information of the Compound
| Compound ID |
CP0534395
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[3-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]-3,5,5-trimethylhexanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H39N3O4
|
||||||||||||||||||
| Molecular Weight |
493.648
|
||||||||||||||||||
| Canonical SMILES |
CC(CC(=O)Nc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)CC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H39N3O4/c1-19(17-29(2,3)4)16-27(36)31-21-9-7-20(8-10-21)6-5-15-30-18-25(34)22-11-13-24(33)28-23(22)12-14-26(35)32-28/h7-14,19,25,30,33-34H,5-6,15-18H2,1-4H3,(H,31,36)(H,32,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BPDXUFOLKSRLPV-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