General Information of the Compound
| Compound ID |
CP0476769
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2S)-N-[(1R)-1-(6-cyclobutyloxypyridin-3-yl)-2-hydroxyethyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23FN2O3
|
||||||||||||||||||
| Molecular Weight |
370.424
|
||||||||||||||||||
| Canonical SMILES |
OC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(OC2CCC2)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23FN2O3/c22-15-7-4-13(5-8-15)17-10-18(17)21(26)24-19(12-25)14-6-9-20(23-11-14)27-16-2-1-3-16/h4-9,11,16-19,25H,1-3,10,12H2,(H,24,26)/t17-,18+,19+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FCMRWVBXSWDTIB-QYZOEREBSA-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