General Information of the Compound
| Compound ID |
CP0068737
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| Compound Name |
3-[[(1S)-7-ethylsulfonyl-2,2-difluoro-1-hydroxy-1,3-dihydroinden-4-yl]oxy]-5-fluorobenzonitrile
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| Structure |
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| Formula |
C18H14F3NO4S
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| Molecular Weight |
397.374
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2CC(F)(F)[C@@H](O)c12
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| InChI |
InChI=1S/C18H14F3NO4S/c1-2-27(24,25)15-4-3-14(13-8-18(20,21)17(23)16(13)15)26-12-6-10(9-22)5-11(19)7-12/h3-7,17,23H,2,8H2,1H3/t17-/m0/s1
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| InChIKey |
UHNFAQWSYGYEMH-KRWDZBQOSA-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