General Information of the Compound
| Compound ID |
CP0950558
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9096606, 9
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H40NO4+
|
||||||||||||||||||
| Molecular Weight |
502.675
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4COc4ccccc4)[C@@H](C2)[N+](C)(CC2CC2)CC[C@]315
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H40NO4/c1-33(19-21-9-10-21)16-15-31-27-22-11-12-25(34-2)28(27)37-29(31)32(35-3)14-13-30(31,26(33)17-22)18-23(32)20-36-24-7-5-4-6-8-24/h4-8,11-12,21,23,26,29H,9-10,13-20H2,1-3H3/q+1/t23-,26-,29-,30-,31+,32-,33?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HLOOTFAQODXAHN-QADWKJFSSA-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