General Information of the Compound
| Compound ID |
CP0490066
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9333195, 18
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30NO5+
|
||||||||||||||||||
| Molecular Weight |
448.539
|
||||||||||||||||||
| Canonical SMILES |
OC(C(=O)O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)(c1ccco1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30NO5/c29-26(27(30,25-12-7-18-32-25)22-8-3-1-4-9-22)33-24-20-28(15-13-21(24)14-16-28)17-19-31-23-10-5-2-6-11-23/h1-12,18,21,24,30H,13-17,19-20H2/q+1/t21?,24-,27?,28?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JRMJYEPVLGPSIV-WFFTYTAVSA-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