General Information of the Compound
| Compound ID |
CP0479045
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| Compound Name |
1-((1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl)methyl)-4-(3-methoxyphenyl)piperazine
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| Structure |
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| Formula |
C22H25FN4O
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| Molecular Weight |
380.467
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| Canonical SMILES |
COc1cccc(c1)N1CCN(Cc2cnn(c2C)-c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C22H25FN4O/c1-17-18(15-24-27(17)20-8-6-19(23)7-9-20)16-25-10-12-26(13-11-25)21-4-3-5-22(14-21)28-2/h3-9,14-15H,10-13,16H2,1-2H3
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| InChIKey |
JGUPNYONKJTHHZ-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