General Information of the Compound
| Compound ID |
CP0444315
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| Compound Name |
2-[1-diethoxyphosphoryl-2-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropyl)-1-benzothiophene
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| Structure |
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| Formula |
C25H31F2O3PS
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| Molecular Weight |
480.557
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| Canonical SMILES |
CCOP(=O)(OCC)C(Cc1ccc(F)c(F)c1)c1sc2ccccc2c1CC(C)(C)C
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| InChI |
InChI=1S/C25H31F2O3PS/c1-6-29-31(28,30-7-2)22(15-17-12-13-20(26)21(27)14-17)24-19(16-25(3,4)5)18-10-8-9-11-23(18)32-24/h8-14,22H,6-7,15-16H2,1-5H3
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| InChIKey |
CHBSSVLVGYVFLG-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