General Information of the Compound
| Compound ID |
CP0500918
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9333195, 128
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H32NO4+
|
||||||||||||||||||
| Molecular Weight |
470.589
|
||||||||||||||||||
| Canonical SMILES |
O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H32NO4/c32-30(29-24-11-4-6-13-26(24)34-27-14-7-5-12-25(27)29)35-28-21-31(18-15-22(28)16-19-31)17-8-20-33-23-9-2-1-3-10-23/h1-7,9-14,22,28-29H,8,15-21H2/q+1/t22?,28-,31?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AJSGCAGLYFFWMH-JHHOKDCISA-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