General Information of the Compound
| Compound ID |
CP0408728
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| Compound Name |
2-[1-diethoxyphosphoryl-2-(3-methoxyphenyl)ethyl]-3-methyl-1-benzothiophene
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| Structure |
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| Formula |
C22H27O4PS
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| Molecular Weight |
418.495
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| Canonical SMILES |
CCOP(=O)(OCC)C(Cc1cccc(OC)c1)c1sc2ccccc2c1C
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| InChI |
InChI=1S/C22H27O4PS/c1-5-25-27(23,26-6-2)20(15-17-10-9-11-18(14-17)24-4)22-16(3)19-12-7-8-13-21(19)28-22/h7-14,20H,5-6,15H2,1-4H3
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| InChIKey |
PGDONWXUSQVACW-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