General Information of the Compound
| Compound ID |
CP0431721
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| Compound Name |
5-[2-chloro-6-[[1-(4-methoxyphenyl)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 |
C26H23ClN4O5S
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| Molecular Weight |
539.013
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(Oc3cc(cc(Cl)n3)-c3nc(no3)C3CC3)cc12
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| InChI |
InChI=1S/C26H23ClN4O5S/c1-34-19-8-10-21(11-9-19)37(32,33)31-12-2-3-16-6-7-20(15-22(16)31)35-24-14-18(13-23(27)28-24)26-29-25(30-36-26)17-4-5-17/h6-11,13-15,17H,2-5,12H2,1H3
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| InChIKey |
DSWWLHYGBILEPU-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