General Information of the Compound
| Compound ID |
CP0457958
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| Compound Name |
4-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(phenylsulfonyl)butanamide
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| Structure |
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| Formula |
C25H20FN3O3S
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| Molecular Weight |
461.518
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| Canonical SMILES |
Fc1ccc(cc1)-c1[nH]c2ccc(cc2c1CCCC(=O)NS(=O)(=O)c1ccccc1)C#N
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| InChI |
InChI=1S/C25H20FN3O3S/c26-19-12-10-18(11-13-19)25-21(22-15-17(16-27)9-14-23(22)28-25)7-4-8-24(30)29-33(31,32)20-5-2-1-3-6-20/h1-3,5-6,9-15,28H,4,7-8H2,(H,29,30)
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| InChIKey |
PNQHJRKWZCVHHU-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