General Information of the Compound
| Compound ID |
CP0452996
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| Compound Name |
6-Fluoro-2-(4-pyridin-2-yl-piperazin-1-ylmethyl)-1H-benzoimidazole
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| Structure |
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| Formula |
C17H18FN5
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| Molecular Weight |
311.364
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| Canonical SMILES |
Fc1ccc2nc(CN3CCN(CC3)c3ccccn3)[nH]c2c1
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| InChI |
InChI=1S/C17H18FN5/c18-13-4-5-14-15(11-13)21-16(20-14)12-22-7-9-23(10-8-22)17-3-1-2-6-19-17/h1-6,11H,7-10,12H2,(H,20,21)
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| InChIKey |
ZSKFERSPBICNGI-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