General Information of the Compound
| Compound ID |
CP0378353
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| Compound Name |
4-(5-cyano-2-(4-fluorophenyl)-6-methoxy-1H-indol-3-yl)-N-(methylsulfonyl)butanamide
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| Structure |
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| Formula |
C21H20FN3O4S
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| Molecular Weight |
429.473
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| Canonical SMILES |
COc1cc2[nH]c(c(CCCC(=O)NS(C)(=O)=O)c2cc1C#N)-c1ccc(F)cc1
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| InChI |
InChI=1S/C21H20FN3O4S/c1-29-19-11-18-17(10-14(19)12-23)16(4-3-5-20(26)25-30(2,27)28)21(24-18)13-6-8-15(22)9-7-13/h6-11,24H,3-5H2,1-2H3,(H,25,26)
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| InChIKey |
FIOACYLNJGQQFQ-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