General Information of the Compound
| Compound ID |
CP0444309
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| Compound Name |
3-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]-5-fluoro-1-benzothiophene
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| Structure |
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| Formula |
C20H21F2O3PS
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| Molecular Weight |
410.422
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| Canonical SMILES |
CCOP(=O)(OCC)C(Cc1ccc(F)cc1)c1csc2ccc(F)cc12
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| InChI |
InChI=1S/C20H21F2O3PS/c1-3-24-26(23,25-4-2)19(11-14-5-7-15(21)8-6-14)18-13-27-20-10-9-16(22)12-17(18)20/h5-10,12-13,19H,3-4,11H2,1-2H3
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| InChIKey |
RWLYTJLZPCIJNE-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