General Information of the Compound
| Compound ID |
CP0408731
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| Compound Name |
2-[1-diethoxyphosphoryl-2-(3,4-difluorophenyl)ethyl]-3-propan-2-yl-1-benzothiophene
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| Structure |
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| Formula |
C23H27F2O3PS
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| Molecular Weight |
452.503
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| Canonical SMILES |
CCOP(=O)(OCC)C(Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C(C)C
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| InChI |
InChI=1S/C23H27F2O3PS/c1-5-27-29(26,28-6-2)20(14-16-11-12-18(24)19(25)13-16)23-22(15(3)4)17-9-7-8-10-21(17)30-23/h7-13,15,20H,5-6,14H2,1-4H3
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| InChIKey |
LMTAJJNHNOKNJI-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