General Information of the Compound
| Compound ID |
CP0535345
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[(4S)-Fluoro-1-[2-(2-methylphenyl)amino-6-benzoxazolylacetyl]-(2S)-pyrrolidinylmethoxy]pentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30FN3O5
|
||||||||||||||||||
| Molecular Weight |
483.54
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1Nc1nc2ccc(CC(=O)N3C[C@@H](F)C[C@H]3COCCCCC(O)=O)cc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30FN3O5/c1-17-6-2-3-7-21(17)28-26-29-22-10-9-18(12-23(22)35-26)13-24(31)30-15-19(27)14-20(30)16-34-11-5-4-8-25(32)33/h2-3,6-7,9-10,12,19-20H,4-5,8,11,13-16H2,1H3,(H,28,29)(H,32,33)/t19-,20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RNXGBBKKJJGNNS-PMACEKPBSA-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