General Information of the Compound
| Compound ID |
CP0541311
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| Compound Name |
tert-butyl 4-[4-[[4-[(E)-(2,5-dioxopyrrolidin-3-ylidene)methyl]-2-methylphenoxy]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C26H31N3O5S
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| Molecular Weight |
497.617
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| Canonical SMILES |
Cc1cc(\C=C2/CC(=O)NC2=O)ccc1OCc1csc(n1)C1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C26H31N3O5S/c1-16-11-17(12-19-13-22(30)28-23(19)31)5-6-21(16)33-14-20-15-35-24(27-20)18-7-9-29(10-8-18)25(32)34-26(2,3)4/h5-6,11-12,15,18H,7-10,13-14H2,1-4H3,(H,28,30,31)/b19-12+
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| InChIKey |
ZWMJUBSXOUIIDC-XDHOZWIPSA-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