General Information of the Compound
| Compound ID |
CP0502565
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl N-[4-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-(3-fluorophenyl)propyl]phenyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H46FN3O5S
|
||||||||||||||||||
| Molecular Weight |
651.845
|
||||||||||||||||||
| Canonical SMILES |
CCN(C1CCN(CCC(c2ccc(NC(=O)OC(C)(C)C)cc2)c2cccc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H46FN3O5S/c1-6-40(34(41)24-26-10-16-32(17-11-26)46(5,43)44)31-18-21-39(22-19-31)23-20-33(28-8-7-9-29(37)25-28)27-12-14-30(15-13-27)38-35(42)45-36(2,3)4/h7-17,25,31,33H,6,18-24H2,1-5H3,(H,38,42)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YUJLCHGUGRTDHS-UHFFFAOYSA-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