General Information of the Compound
| Compound ID |
CP0549191
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[5-bromo-4-[(4-bromonaphthalen-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dibromopyridin-3-yl)methanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H13Br4N5O2S2
|
||||||||||||||||||
| Molecular Weight |
727.096
|
||||||||||||||||||
| Canonical SMILES |
Brc1nnc(SCS(=O)(=O)Nc2ccc(Br)nc2Br)n1Cc1ccc(Br)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H13Br4N5O2S2/c20-14-6-5-11(12-3-1-2-4-13(12)14)9-28-18(23)25-26-19(28)31-10-32(29,30)27-15-7-8-16(21)24-17(15)22/h1-8,27H,9-10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
UNRMEBMYTXJTPG-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