General Information of the Compound
| Compound ID |
CP0573397
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| Compound Name |
1-(1,3-benzodioxol-5-yl)-N-[5-(2,4-dimethoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
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| Formula |
C29H24N2O6S
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| Molecular Weight |
528.586
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| Canonical SMILES |
COc1ccc(C(=O)c2sc(NC(=O)C3(CC3)c3ccc4OCOc4c3)nc2-c2ccccc2)c(OC)c1
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| InChI |
InChI=1S/C29H24N2O6S/c1-34-19-9-10-20(22(15-19)35-2)25(32)26-24(17-6-4-3-5-7-17)30-28(38-26)31-27(33)29(12-13-29)18-8-11-21-23(14-18)37-16-36-21/h3-11,14-15H,12-13,16H2,1-2H3,(H,30,31,33)
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| InChIKey |
VUGOWDLTQHDEBG-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