General Information of the Compound
| Compound ID |
CP0429715
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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]pyrrolidin-2-one
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| Structure |
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| Formula |
C26H28FN5O2S
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| Molecular Weight |
493.608
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC(CC1)c1nc(COc2ccc(\C=C3/CCNC3=O)cc2F)cs1
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| InChI |
InChI=1S/C26H28FN5O2S/c1-2-17-13-29-26(30-14-17)32-9-6-19(7-10-32)25-31-21(16-35-25)15-34-23-4-3-18(12-22(23)27)11-20-5-8-28-24(20)33/h3-4,11-14,16,19H,2,5-10,15H2,1H3,(H,28,33)/b20-11+
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| InChIKey |
QZTUHZOTLQQYHH-RGVLZGJSSA-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