General Information of the Compound
| Compound ID |
CP0415796
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| Compound Name |
(E)-3-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-4-(3-oxobutoxy)phenyl]-N-pentylsulfonylprop-2-enamide
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| Structure |
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| Formula |
C24H26ClF3N2O6S
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| Molecular Weight |
562.994
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| Canonical SMILES |
CCCCCS(=O)(=O)NC(=O)\C=C\c1ccc(OCCC(C)=O)cc1Oc1ncc(cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C24H26ClF3N2O6S/c1-3-4-5-12-37(33,34)30-22(32)9-7-17-6-8-19(35-11-10-16(2)31)14-21(17)36-23-20(25)13-18(15-29-23)24(26,27)28/h6-9,13-15H,3-5,10-12H2,1-2H3,(H,30,32)/b9-7+
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| InChIKey |
SGWICCCFSCROMT-VQHVLOKHSA-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