General Information of the Compound
| Compound ID |
CP0526167
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| Compound Name |
3-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-N-pentylsulfonylpropanamide
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| Structure |
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| Formula |
C26H31ClF3N3O6S
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| Molecular Weight |
606.063
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| Canonical SMILES |
CCCCCS(=O)(=O)NC(=O)CCc1ccc(OCCN2CCCC2=O)cc1Oc1ncc(cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C26H31ClF3N3O6S/c1-2-3-4-14-40(36,37)32-23(34)10-8-18-7-9-20(38-13-12-33-11-5-6-24(33)35)16-22(18)39-25-21(27)15-19(17-31-25)26(28,29)30/h7,9,15-17H,2-6,8,10-14H2,1H3,(H,32,34)
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| InChIKey |
VMUKGUNRCWERMX-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