General Information of the Compound
| Compound ID |
CP0965059
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 4-((R)-1-(3-aminopropanoyl)piperidin-3-yl)-4-(3'-ethyl-6-fluorobiphenyl-2-yl)-4-hydroxybutylcarbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H38FN3O4
|
||||||||||||||||||
| Molecular Weight |
499.627
|
||||||||||||||||||
| Canonical SMILES |
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CCN)C2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H38FN3O4/c1-3-20-8-4-9-21(18-20)26-23(11-5-12-24(26)29)28(35,14-7-16-31-27(34)36-2)22-10-6-17-32(19-22)25(33)13-15-30/h4-5,8-9,11-12,18,22,35H,3,6-7,10,13-17,19,30H2,1-2H3,(H,31,34)/t22-,28?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AMFATTWGQOSGRT-WZOMIXFGSA-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