General Information of the Compound
| Compound ID |
CP0737082
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((4-(2-chloro-3,6-difluorobenzyloxy)-1-methyl-1H-indol-3-yl)methylene)-3-(4-methyl-1,2,3-thiadiazol-5-yl)-1H-pyrazol-5(4H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H16ClF2N5O2S
|
||||||||||||||||||
| Molecular Weight |
499.93
|
||||||||||||||||||
| Canonical SMILES |
Cc1nnsc1C1=NNC(=O)/C1=C\c1cn(C)c2cccc(OCc3c(F)ccc(F)c3Cl)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H16ClF2N5O2S/c1-11-22(34-30-27-11)21-13(23(32)29-28-21)8-12-9-31(2)17-4-3-5-18(19(12)17)33-10-14-15(25)6-7-16(26)20(14)24/h3-9H,10H2,1-2H3,(H,29,32)/b13-8-
Show/Hide
|
||||||||||||||||||
| InChIKey |
CAYAPHNBHCCHDF-JYRVWZFOSA-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