General Information of the Compound
| Compound ID |
CP0483808
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| Compound Name |
2-[6-Fluoro-3-(4-methanesulfinyl-benzylidene)-2-methyl-3H-inden-1-yl]-N-hydroxy-N-methyl-acetamide
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| Structure |
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| Formula |
C21H20FNO3S
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| Molecular Weight |
385.46
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| Canonical SMILES |
CN(O)C(=O)CC1=C(C)\C(=C\c2ccc(cc2)S(C)=O)c2ccc(F)cc12
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| InChI |
InChI=1S/C21H20FNO3S/c1-13-18(10-14-4-7-16(8-5-14)27(3)26)17-9-6-15(22)11-20(17)19(13)12-21(24)23(2)25/h4-11,25H,12H2,1-3H3/b18-10-
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| InChIKey |
VMZZQBZRUKKLQF-ZDLGFXPLSA-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