General Information of the Compound
| Compound ID |
CP0529824
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| Compound Name |
2-[1-[3-(6-chloro-3-pyridyl)benzyl]indol-3-yl]sulfonyl-N-(5-methylisoxazol-3-yl)acetamide
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| Structure |
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| Formula |
C26H21ClN4O4S
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| Molecular Weight |
520.998
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| Canonical SMILES |
Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(c3)-c3ccc(Cl)nc3)c3ccccc23)no1
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| InChI |
InChI=1S/C26H21ClN4O4S/c1-17-11-25(30-35-17)29-26(32)16-36(33,34)23-15-31(22-8-3-2-7-21(22)23)14-18-5-4-6-19(12-18)20-9-10-24(27)28-13-20/h2-13,15H,14,16H2,1H3,(H,29,30,32)
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| InChIKey |
KEVJUZXOEKNFTR-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