General Information of the Compound
| Compound ID |
CP0541310
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| Compound Name |
tert-butyl 4-[4-[[4-[(E)-(2,5-dioxopyrrolidin-3-ylidene)methyl]-2-fluorophenoxy]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C25H28FN3O5S
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| Molecular Weight |
501.58
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)c1nc(COc2ccc(\C=C3/CC(=O)NC3=O)cc2F)cs1
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| InChI |
InChI=1S/C25H28FN3O5S/c1-25(2,3)34-24(32)29-8-6-16(7-9-29)23-27-18(14-35-23)13-33-20-5-4-15(11-19(20)26)10-17-12-21(30)28-22(17)31/h4-5,10-11,14,16H,6-9,12-13H2,1-3H3,(H,28,30,31)/b17-10+
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| InChIKey |
FFYMFVNVVSZJEZ-LICLKQGHSA-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