General Information of the Compound
| Compound ID |
CP0375517
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| Compound Name |
1-((1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)methyl)-4-(3-methoxyphenyl)piperazine
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| Structure |
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| Formula |
C23H27FN4O
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| Molecular Weight |
394.494
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| Canonical SMILES |
COc1cccc(c1)N1CCN(Cc2c(C)nn(c2C)-c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C23H27FN4O/c1-17-23(18(2)28(25-17)20-9-7-19(24)8-10-20)16-26-11-13-27(14-12-26)21-5-4-6-22(15-21)29-3/h4-10,15H,11-14,16H2,1-3H3
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| InChIKey |
STSDFTHBTSWXTG-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