General Information of the Compound
| Compound ID |
CP0097714
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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]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C26H26FN5O3S
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| Molecular Weight |
507.591
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC(CC1)c1nc(COc2ccc(\C=C3/CC(=O)NC3=O)cc2F)cs1
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| InChI |
InChI=1S/C26H26FN5O3S/c1-2-16-12-28-26(29-13-16)32-7-5-18(6-8-32)25-30-20(15-36-25)14-35-22-4-3-17(10-21(22)27)9-19-11-23(33)31-24(19)34/h3-4,9-10,12-13,15,18H,2,5-8,11,14H2,1H3,(H,31,33,34)/b19-9+
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| InChIKey |
MHXRFQQBYTUUCY-DJKKODMXSA-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