General Information of the Compound
| Compound ID |
CP0410791
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| Compound Name |
2-[2-(3,4-difluorophenyl)-1-di(propan-2-yloxy)phosphorylethyl]-3-methyl-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 |
CC(C)OP(=O)(OC(C)C)C(Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C
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| InChI |
InChI=1S/C23H27F2O3PS/c1-14(2)27-29(26,28-15(3)4)21(13-17-10-11-19(24)20(25)12-17)23-16(5)18-8-6-7-9-22(18)30-23/h6-12,14-15,21H,13H2,1-5H3
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| InChIKey |
DQBJKVNKQOHWGV-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