General Information of the Compound
| Compound ID |
CP0557640
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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-phenylpyrrolidine-2,5-dione
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| Structure |
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| Formula |
C32H30FN5O3S
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| Molecular Weight |
583.689
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC(CC1)c1nc(COc2ccc(\C=C3/CC(=O)N(C3=O)c3ccccc3)cc2F)cs1
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| InChI |
InChI=1S/C32H30FN5O3S/c1-2-21-17-34-32(35-18-21)37-12-10-23(11-13-37)30-36-25(20-42-30)19-41-28-9-8-22(15-27(28)33)14-24-16-29(39)38(31(24)40)26-6-4-3-5-7-26/h3-9,14-15,17-18,20,23H,2,10-13,16,19H2,1H3/b24-14+
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| InChIKey |
YXMOLBIFYOEQFG-ZVHZXABRSA-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