General Information of the Compound
| Compound ID |
CP0444312
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| Compound Name |
2-[2-(3,4-dichlorophenyl)-1-diethoxyphosphorylethyl]-3-methyl-1-benzothiophene
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| Structure |
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| Formula |
C21H23Cl2O3PS
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| Molecular Weight |
457.359
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| Canonical SMILES |
CCOP(=O)(OCC)C(Cc1ccc(Cl)c(Cl)c1)c1sc2ccccc2c1C
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| InChI |
InChI=1S/C21H23Cl2O3PS/c1-4-25-27(24,26-5-2)19(13-15-10-11-17(22)18(23)12-15)21-14(3)16-8-6-7-9-20(16)28-21/h6-12,19H,4-5,13H2,1-3H3
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| InChIKey |
PXZQZBFZSFAGOJ-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