General Information of the Compound
| Compound ID |
CP0184322
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[[(2S)-5-(2,4-difluorophenyl)-1-oxo-1-(2-phenylethylamino)pent-4-yn-2-yl]amino]methylphosphonic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21F2N2O4P
|
||||||||||||||||||
| Molecular Weight |
422.368
|
||||||||||||||||||
| Canonical SMILES |
OP(O)(=O)CN[C@@H](CC#Cc1ccc(F)cc1F)C(=O)NCCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21F2N2O4P/c21-17-10-9-16(18(22)13-17)7-4-8-19(24-14-29(26,27)28)20(25)23-12-11-15-5-2-1-3-6-15/h1-3,5-6,9-10,13,19,24H,8,11-12,14H2,(H,23,25)(H2,26,27,28)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FJKQVAPDGNHWQV-IBGZPJMESA-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