General Information of the Compound
| Compound ID |
CP0077039
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[3-[[4-chloro-3-[(5-chlorothiophen-2-yl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18Cl2N4O3S2
|
||||||||||||||||||
| Molecular Weight |
509.44
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)NCc1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(Cl)cccc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18Cl2N4O3S2/c1-13(28)24-11-14-4-2-5-15(10-14)12-27-17-7-3-6-16(22)20(17)21(25-27)26-32(29,30)19-9-8-18(23)31-19/h2-10H,11-12H2,1H3,(H,24,28)(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VWJNBZCPVKZXCI-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