General Information of the Compound
| Compound ID |
CP0572373
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-(4-prop-2-ynylsulfonylphenyl)ethyl]-1-benzothiophene-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H28ClNO4S2
|
||||||||||||||||||
| Molecular Weight |
566.144
|
||||||||||||||||||
| Canonical SMILES |
CCCOc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)CC#C)C(=O)c1csc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H28ClNO4S2/c1-3-17-36-28-14-11-24(31)19-23(28)20-32(30(33)27-21-37-29-8-6-5-7-26(27)29)16-15-22-9-12-25(13-10-22)38(34,35)18-4-2/h2,5-14,19,21H,3,15-18,20H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QEJDBDYWAGDSOL-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 | |||||||||||||||||||
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