General Information of the Compound
| Compound ID |
CP0456296
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| Compound Name |
2-(5-fluoro-1-(4-methoxy-2,3-dimethylphenylsulfonyl)-2-methyl-1H-indol-3-yl)-N-methyl-N-(2-(pyridin-2-yl)ethyl)acetamide
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| Structure |
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| Formula |
C28H30FN3O4S
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| Molecular Weight |
523.63
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| Canonical SMILES |
COc1ccc(c(C)c1C)S(=O)(=O)n1c(C)c(CC(=O)N(C)CCc2ccccn2)c2cc(F)ccc12
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| InChI |
InChI=1S/C28H30FN3O4S/c1-18-19(2)27(12-11-26(18)36-5)37(34,35)32-20(3)23(24-16-21(29)9-10-25(24)32)17-28(33)31(4)15-13-22-8-6-7-14-30-22/h6-12,14,16H,13,15,17H2,1-5H3
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| InChIKey |
KJRAPLHQNVKPNK-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