General Information of the Compound
| Compound ID |
CP0434487
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(1,3-benzodioxol-5-yl)-2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H27NO6
|
||||||||||||||||||
| Molecular Weight |
485.536
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1c(-c2ccc3OCOc3c2)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H27NO6/c1-3-33-29(31)27-26(20-11-14-24-25(16-20)36-18-35-24)22-13-12-21(17-23(22)28(27)30(2)32)34-15-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-14,16-17H,3,7,10,15,18H2,1-2H3/b30-28+
Show/Hide
|
||||||||||||||||||
| InChIKey |
RLCGQWZKSYOBHP-SJCQXOIGSA-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