General Information of the Compound
| Compound ID |
CP0553708
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| Compound Name |
5-[2-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-phenyl-1,3-thiazole-5-carbonyl]-2-hydroxybenzamide
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| Formula |
C28H21N3O6S
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| Molecular Weight |
527.558
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| Canonical SMILES |
NC(=O)c1cc(ccc1O)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
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| InChI |
InChI=1S/C28H21N3O6S/c29-25(34)18-12-16(6-8-19(18)32)23(33)24-22(15-4-2-1-3-5-15)30-27(38-24)31-26(35)28(10-11-28)17-7-9-20-21(13-17)37-14-36-20/h1-9,12-13,32H,10-11,14H2,(H2,29,34)(H,30,31,35)
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| InChIKey |
YSEZLMSVNXMQBI-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