General Information of the Compound
| Compound ID |
CP0416679
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| Compound Name |
1-((5-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-(3-(trifluoromethyl)phenyl)piperazine
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| Structure |
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| Formula |
C22H23F3N4
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| Molecular Weight |
400.448
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| Canonical SMILES |
Cc1c(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)cnn1-c1ccccc1
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| InChI |
InChI=1S/C22H23F3N4/c1-17-18(15-26-29(17)20-7-3-2-4-8-20)16-27-10-12-28(13-11-27)21-9-5-6-19(14-21)22(23,24)25/h2-9,14-15H,10-13,16H2,1H3
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| InChIKey |
QDKFLZHGDCWFPF-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