General Information of the Compound
| Compound ID |
CP0485944
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL201057
Show/Hide
|
||||||||||||||||||
| Formula |
C24H22INO4
|
||||||||||||||||||
| Molecular Weight |
515.347
|
||||||||||||||||||
| Canonical SMILES |
CC1=NC(C)=C(C(\C1=C(/O)OC\C=C\c1ccccc1)c1cccc(I)c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22INO4/c1-15-20(23(27)28)22(18-11-6-12-19(25)14-18)21(16(2)26-15)24(29)30-13-7-10-17-8-4-3-5-9-17/h3-12,14,22,29H,13H2,1-2H3,(H,27,28)/b10-7+,24-21+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VTFIIBUAQZLPSH-JTVBIEDISA-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 | |||||||||||||||||||
| 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