General Information of the Compound
| Compound ID |
CP0548544
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| Compound Name |
(5Z)-5-[[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methoxy]-3-fluorophenyl]methylidene]-1,3-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C25H24FN5O3S2
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| Molecular Weight |
525.631
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC(CC1)c1nc(COc2ccc(\C=C3/SC(=O)NC3=O)cc2F)cs1
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| InChI |
InChI=1S/C25H24FN5O3S2/c1-2-15-11-27-24(28-12-15)31-7-5-17(6-8-31)23-29-18(14-35-23)13-34-20-4-3-16(9-19(20)26)10-21-22(32)30-25(33)36-21/h3-4,9-12,14,17H,2,5-8,13H2,1H3,(H,30,32,33)/b21-10-
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| InChIKey |
OIHLKSMZSFFWLC-FBHDLOMBSA-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