General Information of the Compound
| Compound ID |
CP0500699
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| Compound Name |
5-(4-fluoro-3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-methylpyrrole-2-carbonitrile
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| Structure |
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| Formula |
C16H14FN3O
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| Molecular Weight |
283.306
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| Canonical SMILES |
Cn1c(ccc1-c1ccc2NC(=O)C(C)(C)c2c1F)C#N
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| InChI |
InChI=1S/C16H14FN3O/c1-16(2)13-11(19-15(16)21)6-5-10(14(13)17)12-7-4-9(8-18)20(12)3/h4-7H,1-3H3,(H,19,21)
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| InChIKey |
SBURKTXWJASIPG-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