General Information of the Compound
| Compound ID |
CP0460162
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| Compound Name |
3-[(E)-2-(6-fluoro-1H-indol-3-yl)ethenyl]benzonitrile
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| Structure |
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| Formula |
C17H11FN2
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| Molecular Weight |
262.287
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| Canonical SMILES |
Fc1ccc2c(\C=C\c3cccc(c3)C#N)c[nH]c2c1
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| InChI |
InChI=1S/C17H11FN2/c18-15-6-7-16-14(11-20-17(16)9-15)5-4-12-2-1-3-13(8-12)10-19/h1-9,11,20H/b5-4+
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| InChIKey |
LVFBMWPYLDKFNS-SNAWJCMRSA-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