General Information of the Compound
| Compound ID |
CP0412246
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| Compound Name |
4-(5-chloro-1-naphthalen-2-ylsulfonylindol-2-yl)butanoic acid
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| Structure |
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| Formula |
C22H18ClNO4S
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| Molecular Weight |
427.909
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| Canonical SMILES |
OC(=O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C22H18ClNO4S/c23-18-9-11-21-17(12-18)13-19(6-3-7-22(25)26)24(21)29(27,28)20-10-8-15-4-1-2-5-16(15)14-20/h1-2,4-5,8-14H,3,6-7H2,(H,25,26)
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| InChIKey |
AWLRKHVXMRLDGU-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