General Information of the Compound
| Compound ID |
CP0496565
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| Compound Name |
4-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(isopropylsulfonyl)butanamide
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| Structure |
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| Formula |
C22H22FN3O3S
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| Molecular Weight |
427.501
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| Canonical SMILES |
CC(C)S(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H22FN3O3S/c1-14(2)30(28,29)26-21(27)5-3-4-18-19-12-15(13-24)6-11-20(19)25-22(18)16-7-9-17(23)10-8-16/h6-12,14,25H,3-5H2,1-2H3,(H,26,27)
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| InChIKey |
MBASOEPXYIUDPU-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