General Information of the Compound
| Compound ID |
CP0500719
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| Compound Name |
4-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(methylsulfonyl)butanamide
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| Structure |
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| Formula |
C20H18FN3O3S
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| Molecular Weight |
399.447
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| Canonical SMILES |
CS(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
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| InChI |
InChI=1S/C20H18FN3O3S/c1-28(26,27)24-19(25)4-2-3-16-17-11-13(12-22)5-10-18(17)23-20(16)14-6-8-15(21)9-7-14/h5-11,23H,2-4H2,1H3,(H,24,25)
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| InChIKey |
OVTPSSRHMPJRCX-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