General Information of the Compound
| Compound ID |
CP0483725
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| Compound Name |
4-[2-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-phenyl-1,3-thiazole-5-carbonyl]benzoic acid
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| Formula |
C28H20N2O6S
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| Molecular Weight |
512.543
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| Canonical SMILES |
OC(=O)c1ccc(cc1)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
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| InChI |
InChI=1S/C28H20N2O6S/c31-23(17-6-8-18(9-7-17)25(32)33)24-22(16-4-2-1-3-5-16)29-27(37-24)30-26(34)28(12-13-28)19-10-11-20-21(14-19)36-15-35-20/h1-11,14H,12-13,15H2,(H,32,33)(H,29,30,34)
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| InChIKey |
VCOOIMDXBONRHL-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