General Information of the Compound
| Compound ID |
CP0428354
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| Compound Name |
methyl 4-[[2-methoxy-4-[(Z)-[3-[(4-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoate
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| Structure |
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| Formula |
C27H22N2O8S
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| Molecular Weight |
534.546
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| Canonical SMILES |
COC(=O)c1ccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(cc4)[N+]([O-])=O)C3=O)cc2OC)cc1
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| InChI |
InChI=1S/C27H22N2O8S/c1-35-23-13-19(7-12-22(23)37-16-18-3-8-20(9-4-18)26(31)36-2)14-24-25(30)28(27(32)38-24)15-17-5-10-21(11-6-17)29(33)34/h3-14H,15-16H2,1-2H3/b24-14-
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| InChIKey |
PMOFUGPNDRLXEL-OYKKKHCWSA-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