General Information of the Compound
| Compound ID |
CP0556909
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3091668
Show/Hide
|
||||||||||||||||||
| Formula |
C17H22BrNO4
|
||||||||||||||||||
| Molecular Weight |
384.27
|
||||||||||||||||||
| Canonical SMILES |
[Br-].C[N+]1(C)[C@H]2C[C@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)C(O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H22NO4.BrH/c1-18(2)12-8-11(9-13(18)16-15(12)22-16)21-17(20)14(19)10-6-4-3-5-7-10;/h3-7,11-16,19H,8-9H2,1-2H3;1H/q+1;/p-1/t11-,12+,13-,14?,15+,16-;
Show/Hide
|
||||||||||||||||||
| InChIKey |
XDNVYVIYLBMMDL-QSPPWMIRSA-M
|
||||||||||||||||||
| 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 | |||||||||||||||||||
| 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