General Information of the Compound
| Compound ID |
CP0970147
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| Compound Name |
1-(4-{2-(4-Fluorophenyl)-2[(pyridin-2-ylmethyl)amino]ethyl}piperazin-1-yl)ethanone
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| Structure |
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| Formula |
C20H25FN4O
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| Molecular Weight |
356.445
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| Canonical SMILES |
CC(=O)N1CCN(CC(NCc2ccccn2)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C20H25FN4O/c1-16(26)25-12-10-24(11-13-25)15-20(17-5-7-18(21)8-6-17)23-14-19-4-2-3-9-22-19/h2-9,20,23H,10-15H2,1H3
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| InChIKey |
KNZIVPSOLPQKKD-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