General Information of the Compound
| Compound ID |
CP0552705
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| Compound Name |
ethyl 4-[2-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-phenyl-1,3-thiazole-5-carbonyl]benzoate
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| Formula |
C30H24N2O6S
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| Molecular Weight |
540.597
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| Canonical SMILES |
CCOC(=O)c1ccc(cc1)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
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| InChI |
InChI=1S/C30H24N2O6S/c1-2-36-27(34)20-10-8-19(9-11-20)25(33)26-24(18-6-4-3-5-7-18)31-29(39-26)32-28(35)30(14-15-30)21-12-13-22-23(16-21)38-17-37-22/h3-13,16H,2,14-15,17H2,1H3,(H,31,32,35)
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| InChIKey |
KJJDWPKHXXARNK-UHFFFAOYSA-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