General Information of the Compound
| Compound ID |
CP0411315
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-3-[[1-(2-methylphenoxy)carbonylpiperidine-4-carbonyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24F4N2O7
|
||||||||||||||||||
| Molecular Weight |
540.466
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1OC(=O)N1CCC(CC1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24F4N2O7/c1-13-4-2-3-5-19(13)38-25(36)31-8-6-14(7-9-31)24(35)30-17(11-20(33)34)18(32)12-37-23-21(28)15(26)10-16(27)22(23)29/h2-5,10,14,17H,6-9,11-12H2,1H3,(H,30,35)(H,33,34)/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AWYSHIBEEVCMDY-KRWDZBQOSA-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