General Information of the Compound
| Compound ID |
CP0559357
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| Compound Name |
1-[(3-fluorophenyl)methyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]indole-5-carboxamide
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| Structure |
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| Formula |
C25H23FN2O3S
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| Molecular Weight |
450.535
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| Canonical SMILES |
CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)cc1
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| InChI |
InChI=1S/C25H23FN2O3S/c1-32(30,31)17-19-7-5-18(6-8-19)15-27-25(29)22-9-10-24-21(14-22)11-12-28(24)16-20-3-2-4-23(26)13-20/h2-14H,15-17H2,1H3,(H,27,29)
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| InChIKey |
ITJOSAAZGKMSOI-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