General Information of the Compound
| Compound ID |
CP0431726
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| Compound Name |
6-[[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxy]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
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| Structure |
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| Formula |
C25H21ClN4O5S
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| Molecular Weight |
524.986
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| Canonical SMILES |
Clc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(Oc3cc(cc(=O)[nH]3)-c3nc(no3)C3CC3)cc12
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| InChI |
InChI=1S/C25H21ClN4O5S/c26-18-6-9-20(10-7-18)36(32,33)30-11-1-2-15-5-8-19(14-21(15)30)34-23-13-17(12-22(31)27-23)25-28-24(29-35-25)16-3-4-16/h5-10,12-14,16H,1-4,11H2,(H,27,31)
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| InChIKey |
PBFRNIOGCGCFEK-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