General Information of the Compound
| Compound ID |
CP0404229
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| Compound Name |
(3E)-3-[[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methoxy]-3,5-difluorophenyl]methylidene]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C26H25F2N5O3S
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| Molecular Weight |
525.581
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC(CC1)c1nc(COc2c(F)cc(\C=C3/CC(=O)NC3=O)cc2F)cs1
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| InChI |
InChI=1S/C26H25F2N5O3S/c1-2-15-11-29-26(30-12-15)33-5-3-17(4-6-33)25-31-19(14-37-25)13-36-23-20(27)8-16(9-21(23)28)7-18-10-22(34)32-24(18)35/h7-9,11-12,14,17H,2-6,10,13H2,1H3,(H,32,34,35)/b18-7+
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| InChIKey |
JBXCOICBVXWFCU-CNHKJKLMSA-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