General Information of the Compound
| Compound ID |
CP0865214
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 4-((R)-1-(4-aminobutanoyl)piperidin-3-yl)-4-(3'-ethyl-6-fluorobiphenyl-2-yl)-4-hydroxybutylcarbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H40FN3O4
|
||||||||||||||||||
| Molecular Weight |
513.654
|
||||||||||||||||||
| Canonical SMILES |
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CCCN)C2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H40FN3O4/c1-3-21-9-4-10-22(19-21)27-24(12-5-13-25(27)30)29(36,15-8-17-32-28(35)37-2)23-11-7-18-33(20-23)26(34)14-6-16-31/h4-5,9-10,12-13,19,23,36H,3,6-8,11,14-18,20,31H2,1-2H3,(H,32,35)/t23-,29?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ROVHNWIVSDDVQC-WIZGVZBGSA-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