General Information of the Compound
| Compound ID |
CP0421946
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| Compound Name |
N-[2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C20H14ClFN4O2
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| Molecular Weight |
396.809
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| Canonical SMILES |
Fc1ccc(-c2noc(CCNC(=O)c3cnc4ccccc4c3)n2)c(Cl)c1
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| InChI |
InChI=1S/C20H14ClFN4O2/c21-16-10-14(22)5-6-15(16)19-25-18(28-26-19)7-8-23-20(27)13-9-12-3-1-2-4-17(12)24-11-13/h1-6,9-11H,7-8H2,(H,23,27)
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| InChIKey |
HWQXPOZWUHQRFG-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