General Information of the Compound
| Compound ID |
CP0577529
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
prop-2-ynyl (Z)-4-oxo-4-(tetradecylamino)but-2-enoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H35NO3
|
||||||||||||||||||
| Molecular Weight |
349.515
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCCCCCCNC(=O)\C=C/C(=O)OCC#C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H35NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-22-20(23)16-17-21(24)25-19-4-2/h2,16-17H,3,5-15,18-19H2,1H3,(H,22,23)/b17-16-
Show/Hide
|
||||||||||||||||||
| InChIKey |
PRRFCYATWORWMO-MSUUIHNZSA-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 | |||||||||||||||||||
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