General Information of the Compound
| Compound ID |
CP0329348
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| Compound Name |
3-[5-(4-chlorophenyl)furan-2-yl]-5-(5-fluoropyridin-2-yl)-4-(4-piperazin-1-ylphenyl)-5H-1,2,4-oxadiazole
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| Structure |
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| Formula |
C27H23ClFN5O2
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| Molecular Weight |
503.965
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| Canonical SMILES |
Fc1ccc(nc1)C1ON=C(N1c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H23ClFN5O2/c28-19-3-1-18(2-4-19)24-11-12-25(35-24)26-32-36-27(23-10-5-20(29)17-31-23)34(26)22-8-6-21(7-9-22)33-15-13-30-14-16-33/h1-12,17,27,30H,13-16H2
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| InChIKey |
WGJIAMSLBTZDEA-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