General Information of the Compound
| Compound ID |
CP0235641
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| Compound Name |
(E)-2-(2,4-dichlorophenyl)sulfonyl-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile
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| Structure |
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| Formula |
C17H11Cl2NO3S
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| Molecular Weight |
380.252
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| Canonical SMILES |
Clc1ccc(c(Cl)c1)S(=O)(=O)C(=C\c1ccc2OCCc2c1)\C#N
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| InChI |
InChI=1S/C17H11Cl2NO3S/c18-13-2-4-17(15(19)9-13)24(21,22)14(10-20)8-11-1-3-16-12(7-11)5-6-23-16/h1-4,7-9H,5-6H2/b14-8+
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| InChIKey |
GAOGWKPHPDGMFG-RIYZIHGNSA-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