General Information of the Compound
| Compound ID |
CP0421050
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| Compound Name |
5-[2-chloro-6-[[1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxy]pyridin-4-yl]-3-cyclopropyl-1,2,4-oxadiazole
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| Structure |
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| Formula |
C25H20Cl2N4O4S
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| Molecular Weight |
543.432
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| Canonical SMILES |
Clc1cccc(c1)S(=O)(=O)N1CCCc2ccc(Oc3cc(cc(Cl)n3)-c3nc(no3)C3CC3)cc12
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| InChI |
InChI=1S/C25H20Cl2N4O4S/c26-18-4-1-5-20(13-18)36(32,33)31-10-2-3-15-8-9-19(14-21(15)31)34-23-12-17(11-22(27)28-23)25-29-24(30-35-25)16-6-7-16/h1,4-5,8-9,11-14,16H,2-3,6-7,10H2
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| InChIKey |
IZMBEAXPHQKSMK-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