General Information of the Compound
| Compound ID |
CP0445544
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| Compound Name |
5-[2-chloro-6-[[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxy]pyridin-4-yl]-3-(trifluoromethyl)-1,2,4-oxadiazole
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| Structure |
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| Formula |
C23H15Cl2F3N4O4S
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| Molecular Weight |
571.364
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| Canonical SMILES |
FC(F)(F)c1noc(n1)-c1cc(Cl)nc(Oc2ccc3CCCN(c3c2)S(=O)(=O)c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C23H15Cl2F3N4O4S/c24-15-4-7-17(8-5-15)37(33,34)32-9-1-2-13-3-6-16(12-18(13)32)35-20-11-14(10-19(25)29-20)21-30-22(31-36-21)23(26,27)28/h3-8,10-12H,1-2,9H2
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| InChIKey |
FWMVVPCOCXWLQG-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