General Information of the Compound
| Compound ID |
CP0569590
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| Compound Name |
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-[(Z)-[3-(2-hydroxyphenyl)-4-oxo-2-propylimino-1,3-thiazolidin-5-ylidene]methyl]benzoate
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| Formula |
C25H22N2O7S
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| Molecular Weight |
494.525
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| Canonical SMILES |
CCC\N=C1/S\C(=C/c2ccc(cc2)C(=O)OCc2oc(=O)oc2C)C(=O)N1c1ccccc1O
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| InChI |
InChI=1S/C25H22N2O7S/c1-3-12-26-24-27(18-6-4-5-7-19(18)28)22(29)21(35-24)13-16-8-10-17(11-9-16)23(30)32-14-20-15(2)33-25(31)34-20/h4-11,13,28H,3,12,14H2,1-2H3/b21-13-,26-24-
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| InChIKey |
PVFDYOMOEUTKET-SVKHOINDSA-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