General Information of the Compound
| Compound ID |
CP0950995
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| Compound Name |
2-(2-Allyloxy-3,5-dichloro-benzenesulfonylamino)-indan-2-carboxylic acid
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| Structure |
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| Formula |
C19H17Cl2NO5S
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| Molecular Weight |
442.32
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| Canonical SMILES |
C=CCOc1c(Cl)cc(Cl)cc1S(=O)(=O)NC1(C(=O)O)Cc2ccccc2C1
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| InChI |
InChI=1S/C19H17Cl2NO5S/c1-2-7-27-17-15(21)8-14(20)9-16(17)28(25,26)22-19(18(23)24)10-12-5-3-4-6-13(12)11-19/h2-6,8-9,22H,1,7,10-11H2,(H,23,24)
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| InChIKey |
YIJFSXUJEOMRLN-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