General Information of the Compound
| Compound ID |
CP0430027
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| Compound Name |
5-[2-[[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxy]-6-cyclopropylpyridin-4-yl]-3-cyclopropyl-1,2,4-oxadiazole
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| Structure |
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| Formula |
C28H25ClN4O4S
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| Molecular Weight |
549.052
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| Canonical SMILES |
Clc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(Oc3cc(cc(n3)C3CC3)-c3nc(no3)C3CC3)cc12
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| InChI |
InChI=1S/C28H25ClN4O4S/c29-21-8-11-23(12-9-21)38(34,35)33-13-1-2-18-7-10-22(16-25(18)33)36-26-15-20(14-24(30-26)17-3-4-17)28-31-27(32-37-28)19-5-6-19/h7-12,14-17,19H,1-6,13H2
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| InChIKey |
BMBHHJOJERDYIV-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