General Information of the Compound
| Compound ID |
CP0378354
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| Compound Name |
4-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)-N-methyl-N-(methylsulfonyl)butanamide
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| Structure |
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| Formula |
C21H20FN3O3S
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| Molecular Weight |
413.474
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| Canonical SMILES |
CN(C(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C21H20FN3O3S/c1-25(29(2,27)28)20(26)5-3-4-17-18-12-14(13-23)6-11-19(18)24-21(17)15-7-9-16(22)10-8-15/h6-12,24H,3-5H2,1-2H3
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| InChIKey |
FFOMDIJZKUMUMF-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