General Information of the Compound
| Compound ID |
CP0924805
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| Compound Name |
Potassium [(2E)-3-(4-(2-methoxyethoxy)-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)acryl](pentylsulfonyl)azanide
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| Structure |
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| Formula |
C23H26F3KN2O6S
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| Molecular Weight |
554.628
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| Canonical SMILES |
CCCCCS(=O)(=O)[N-]C(=O)/C=C/c1ccc(OCCOC)cc1Oc1ccc(C(F)(F)F)cn1.[K+]
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| InChI |
InChI=1S/C23H27F3N2O6S.K/c1-3-4-5-14-35(30,31)28-21(29)10-7-17-6-9-19(33-13-12-32-2)15-20(17)34-22-11-8-18(16-27-22)23(24,25)26;/h6-11,15-16H,3-5,12-14H2,1-2H3,(H,28,29);/q;+1/p-1/b10-7+;
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| InChIKey |
WZYDVPRGVISVIY-HCUGZAAXSA-M
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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