General Information of the Compound
| Compound ID |
CP0559934
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| Compound Name |
(3E)-3-[[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methoxy]-3-fluorophenyl]methylidene]-1-(oxan-4-ylmethyl)pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C32H36FN5O4S
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| Molecular Weight |
605.736
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC(CC1)c1nc(COc2ccc(\C=C3/CC(=O)N(CC4CCOCC4)C3=O)cc2F)cs1
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| InChI |
InChI=1S/C32H36FN5O4S/c1-2-21-16-34-32(35-17-21)37-9-5-24(6-10-37)30-36-26(20-43-30)19-42-28-4-3-23(14-27(28)33)13-25-15-29(39)38(31(25)40)18-22-7-11-41-12-8-22/h3-4,13-14,16-17,20,22,24H,2,5-12,15,18-19H2,1H3/b25-13+
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| InChIKey |
KXMSXJIWTGDOCT-DHRITJCHSA-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