General Information of the Compound
| Compound ID |
CP0407046
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| Compound Name |
4-chloro-N-[3-[6-chloro-4-(5-ethyl-1H-1,2,4-triazol-3-yl)pyridin-2-yl]oxyphenyl]benzenesulfonamide
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| Structure |
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| Formula |
C21H17Cl2N5O3S
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| Molecular Weight |
490.372
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| Canonical SMILES |
CCc1nnc([nH]1)-c1cc(Cl)nc(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1
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| InChI |
InChI=1S/C21H17Cl2N5O3S/c1-2-19-25-21(27-26-19)13-10-18(23)24-20(11-13)31-16-5-3-4-15(12-16)28-32(29,30)17-8-6-14(22)7-9-17/h3-12,28H,2H2,1H3,(H,25,26,27)
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| InChIKey |
QMISNMYENQGXGS-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