General Information of the Compound
| Compound ID |
CP0458408
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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-methyl-1,2,4-oxadiazole
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| Structure |
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| Formula |
C23H18Cl2N4O4S
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| Molecular Weight |
517.394
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| Canonical SMILES |
Cc1noc(n1)-c1cc(Cl)nc(Oc2ccc3CCCN(c3c2)S(=O)(=O)c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C23H18Cl2N4O4S/c1-14-26-23(33-28-14)16-11-21(25)27-22(12-16)32-18-7-4-15-3-2-10-29(20(15)13-18)34(30,31)19-8-5-17(24)6-9-19/h4-9,11-13H,2-3,10H2,1H3
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| InChIKey |
AEBRHMJCAICWMX-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