General Information of the Compound
| Compound ID |
CP0412259
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| Compound Name |
3-(4-fluorophenyl)-2-(pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
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| Structure |
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| Formula |
C19H11FN4
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| Molecular Weight |
314.323
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| Canonical SMILES |
Fc1ccc(cc1)-c1c([nH]c2ccc(nc12)C#N)-c1cccnc1
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| InChI |
InChI=1S/C19H11FN4/c20-14-5-3-12(4-6-14)17-18(13-2-1-9-22-11-13)24-16-8-7-15(10-21)23-19(16)17/h1-9,11,24H
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| InChIKey |
LQBWYHGAMQUGEW-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