General Information of the Compound
| Compound ID |
CP0500697
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-(5-methoxy-adamantan-2-yl)-2-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-propionamide
Show/Hide
|
||||||||||||||||||
| Formula |
C24H33F3N4O2
|
||||||||||||||||||
| Molecular Weight |
466.548
|
||||||||||||||||||
| Canonical SMILES |
CO[C@@]12CC3CC(C1)[C@H](NC(=O)C(C)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H33F3N4O2/c1-15(22(32)29-21-17-9-16-10-18(21)13-23(11-16,12-17)33-2)30-5-7-31(8-6-30)20-4-3-19(14-28-20)24(25,26)27/h3-4,14-18,21H,5-13H2,1-2H3,(H,29,32)/t15?,16?,17?,18?,21-,23-
Show/Hide
|
||||||||||||||||||
| InChIKey |
RHLWLLOOQKGFSE-JVFDUJBCSA-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