General Information of the Compound
| Compound ID |
CP0496925
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| Compound Name |
N-benzylsulfonyl-4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]butanamide
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| Structure |
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| Formula |
C26H22FN3O3S
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| Molecular Weight |
475.545
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| Canonical SMILES |
Fc1ccc(cc1)-c1[nH]c2ccc(cc2c1CCCC(=O)NS(=O)(=O)Cc1ccccc1)C#N
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| InChI |
InChI=1S/C26H22FN3O3S/c27-21-12-10-20(11-13-21)26-22(23-15-19(16-28)9-14-24(23)29-26)7-4-8-25(31)30-34(32,33)17-18-5-2-1-3-6-18/h1-3,5-6,9-15,29H,4,7-8,17H2,(H,30,31)
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| InChIKey |
OSYRYXTXKLOGCP-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