General Information of the Compound
| Compound ID |
CP0504658
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-(4-Acetoxy-3-iodo-5-methoxyphenyl)acetamido]-2-(3,4-dimethylbenzyl)propyl pivalate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H36INO6
|
||||||||||||||||||
| Molecular Weight |
609.501
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc(I)c1OC(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H36INO6/c1-17-8-9-20(10-18(17)2)11-22(16-35-27(33)28(4,5)6)15-30-25(32)14-21-12-23(29)26(36-19(3)31)24(13-21)34-7/h8-10,12-13,22H,11,14-16H2,1-7H3,(H,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QNUNTTUNYXUQFP-UHFFFAOYSA-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