General Information of the Compound
| Compound ID |
CP0453814
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| Compound Name |
1-(4-fluorophenyl)-4-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)piperazine
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| Structure |
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| Formula |
C21H23FN4
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| Molecular Weight |
350.441
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| Canonical SMILES |
Cc1nn(cc1CN1CCN(CC1)c1ccc(F)cc1)-c1ccccc1
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| InChI |
InChI=1S/C21H23FN4/c1-17-18(16-26(23-17)21-5-3-2-4-6-21)15-24-11-13-25(14-12-24)20-9-7-19(22)8-10-20/h2-10,16H,11-15H2,1H3
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| InChIKey |
XJELAYAYXDVSNB-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