General Information of the Compound
| Compound ID |
CP0471057
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| Compound Name |
methyl 4-[[4-[(Z)-[3-[(4-tert-butylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]methyl]benzoate
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| Structure |
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| Formula |
C31H31NO6S
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| Molecular Weight |
545.657
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| Canonical SMILES |
COC(=O)c1ccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(cc4)C(C)(C)C)C3=O)cc2OC)cc1
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| InChI |
InChI=1S/C31H31NO6S/c1-31(2,3)24-13-8-20(9-14-24)18-32-28(33)27(39-30(32)35)17-22-10-15-25(26(16-22)36-4)38-19-21-6-11-23(12-7-21)29(34)37-5/h6-17H,18-19H2,1-5H3/b27-17-
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| InChIKey |
KMUHPWMQKYHPKZ-PKAZHMFMSA-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