General Information of the Compound
| Compound ID |
CP0548496
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| Compound Name |
N-[[2-fluoro-4-(methylsulfonylmethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide
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| Structure |
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| Formula |
C25H22F2N2O3S
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| Molecular Weight |
468.525
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| Canonical SMILES |
CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(F)c1
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| InChI |
InChI=1S/C25H22F2N2O3S/c1-33(31,32)16-18-5-6-21(23(27)12-18)14-28-25(30)20-7-8-24-19(13-20)9-10-29(24)15-17-3-2-4-22(26)11-17/h2-13H,14-16H2,1H3,(H,28,30)
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| InChIKey |
CCDOANRIHKKFHY-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