General Information of the Compound
| Compound ID |
CP0062434
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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-methylphenyl]methylidene]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C27H29N5O3S
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| Molecular Weight |
503.628
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC(CC1)c1nc(COc2ccc(\C=C3/CC(=O)NC3=O)cc2C)cs1
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| InChI |
InChI=1S/C27H29N5O3S/c1-3-18-13-28-27(29-14-18)32-8-6-20(7-9-32)26-30-22(16-36-26)15-35-23-5-4-19(10-17(23)2)11-21-12-24(33)31-25(21)34/h4-5,10-11,13-14,16,20H,3,6-9,12,15H2,1-2H3,(H,31,33,34)/b21-11+
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| InChIKey |
BIFKEIREKXCRHD-SRZZPIQSSA-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