General Information of the Compound
| Compound ID |
CP0440698
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| Compound Name |
5-(3-chlorophenyl)-3-(5-(isoxazol-3-yl)thiophen-2-yl)-1,2,4-oxadiazole
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| Structure |
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| Formula |
C15H8ClN3O2S
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| Molecular Weight |
329.768
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| Canonical SMILES |
Clc1cccc(c1)-c1nc(no1)-c1ccc(s1)-c1ccon1
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| InChI |
InChI=1S/C15H8ClN3O2S/c16-10-3-1-2-9(8-10)15-17-14(19-21-15)13-5-4-12(22-13)11-6-7-20-18-11/h1-8H
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| InChIKey |
JGYAIAVLTGPCGO-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