General Information of the Compound
| Compound ID |
CP0444316
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| Compound Name |
2-[1-[bis(2-methylpropyl)phosphoryl]-2-(3,4-difluorophenyl)ethyl]-3-methyl-1-benzothiophene
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| Structure |
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| Formula |
C25H31F2OPS
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| Molecular Weight |
448.559
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| Canonical SMILES |
CC(C)CP(=O)(CC(C)C)C(Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C
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| InChI |
InChI=1S/C25H31F2OPS/c1-16(2)14-29(28,15-17(3)4)23(13-19-10-11-21(26)22(27)12-19)25-18(5)20-8-6-7-9-24(20)30-25/h6-12,16-17,23H,13-15H2,1-5H3
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| InChIKey |
QIURJPVMNLHEDS-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