General Information of the Compound
| Compound ID |
CP0216508
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| Compound Name |
5-(3-Chloro-4-methyl-thiophen-2-yl)-3-(4-chloro-phenyl)-[1,2,4]oxadiazole
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| Structure |
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| Formula |
C13H8Cl2N2OS
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| Molecular Weight |
311.193
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| Canonical SMILES |
Cc1csc(c1Cl)-c1nc(no1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C13H8Cl2N2OS/c1-7-6-19-11(10(7)15)13-16-12(17-18-13)8-2-4-9(14)5-3-8/h2-6H,1H3
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| InChIKey |
AXIBHDBKDNZSDT-UHFFFAOYSA-N
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| 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
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01014, Caspase-3