General Information of the Compound
| Compound ID |
CP0907122
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
((3'R,4'R)-1'-benzoyl-4'-hydroxy-1,3'-bipiperidin-4-yl)(4-methoxyphenyl)methanone oxalate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32N2O8
|
||||||||||||||||||
| Molecular Weight |
512.559
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C(=O)C2CCN([C@@H]3CN(C(=O)c4ccccc4)CC[C@H]3O)CC2)cc1.O=C(O)C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30N2O4.C2H2O4/c1-31-21-9-7-18(8-10-21)24(29)19-11-14-26(15-12-19)22-17-27(16-13-23(22)28)25(30)20-5-3-2-4-6-20;3-1(4)2(5)6/h2-10,19,22-23,28H,11-17H2,1H3;(H,3,4)(H,5,6)/t22-,23-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DXUUCUOGOUUQQO-OHIDFYLOSA-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