General Information of the Compound
| Compound ID |
CP0447861
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| Compound Name |
[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C20H30FN3O
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| Molecular Weight |
347.478
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCC(F)CC2)cc1
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| InChI |
InChI=1S/C20H30FN3O/c1-16(2)23-11-13-24(14-12-23)20(25)18-5-3-17(4-6-18)15-22-9-7-19(21)8-10-22/h3-6,16,19H,7-15H2,1-2H3
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| InChIKey |
CGTXVCXETZOKHW-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
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2