General Information of the Compound
| Compound ID |
CP0569062
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[2-[(5-chloro-2-propoxyphenyl)methyl-(thiophen-3-ylmethyl)amino]ethyl]-N-prop-2-ynylbenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29ClN2O3S2
|
||||||||||||||||||
| Molecular Weight |
517.116
|
||||||||||||||||||
| Canonical SMILES |
CCCOc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)NCC#C)Cc1ccsc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29ClN2O3S2/c1-3-13-28-34(30,31)25-8-5-21(6-9-25)11-14-29(18-22-12-16-33-20-22)19-23-17-24(27)7-10-26(23)32-15-4-2/h1,5-10,12,16-17,20,28H,4,11,13-15,18-19H2,2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JDANDDYFURDEGF-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