General Information of the Compound
| Compound ID |
CP0461506
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| Compound Name |
5-(3-Chloro-furan-2-yl)-3-(4-nitro-phenyl)-[1,2,4]oxadiazole
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| Structure |
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| Formula |
C12H6ClN3O4
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| Molecular Weight |
291.65
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)-c1noc(n1)-c1occc1Cl
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| InChI |
InChI=1S/C12H6ClN3O4/c13-9-5-6-19-10(9)12-14-11(15-20-12)7-1-3-8(4-2-7)16(17)18/h1-6H
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| InChIKey |
VAJJDOMFYBTINV-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