General Information of the Compound
| Compound ID |
CP0849299
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-2-[(4-(4-Fluorobutoxy)benzylamino)methyl]chroman-7-ol oxalate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28FNO7
|
||||||||||||||||||
| Molecular Weight |
449.475
|
||||||||||||||||||
| Canonical SMILES |
O=C(O)C(=O)O.Oc1ccc2c(c1)O[C@@H](CNCc1ccc(OCCCCF)cc1)CC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26FNO3.C2H2O4/c22-11-1-2-12-25-19-8-3-16(4-9-19)14-23-15-20-10-6-17-5-7-18(24)13-21(17)26-20;3-1(4)2(5)6/h3-5,7-9,13,20,23-24H,1-2,6,10-12,14-15H2;(H,3,4)(H,5,6)/t20-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KUVBELKHWOCLLE-VEIFNGETSA-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