General Information of the Compound
| Compound ID |
CP0060126
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[4-(6-methoxypyridin-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(3,4,5-trifluorophenyl)prop-2-enoyl]piperidin-4-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H33F3N4O3
|
||||||||||||||||||
| Molecular Weight |
530.591
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cn1)C1CCC(CC1)NC(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H33F3N4O3/c1-38-24-8-5-20(16-33-24)18-3-6-21(7-4-18)34-27(28(32)37)19-10-12-35(13-11-19)25(36)9-2-17-14-22(29)26(31)23(30)15-17/h2,5,8-9,14-16,18-19,21,27,34H,3-4,6-7,10-13H2,1H3,(H2,32,37)/b9-2+
Show/Hide
|
||||||||||||||||||
| InChIKey |
DJVMQYNGQRZYRW-XNWCZRBMSA-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