General Information of the Compound
| Compound ID |
CP0483887
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| Compound Name |
1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
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| Structure |
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| Formula |
C18H19Cl2F3N4O
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| Molecular Weight |
435.277
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| Canonical SMILES |
Cc1c(Cl)c(nn1CC(=O)N1CCN(CC1)c1ccc(Cl)c(C)c1)C(F)(F)F
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| InChI |
InChI=1S/C18H19Cl2F3N4O/c1-11-9-13(3-4-14(11)19)25-5-7-26(8-6-25)15(28)10-27-12(2)16(20)17(24-27)18(21,22)23/h3-4,9H,5-8,10H2,1-2H3
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| InChIKey |
JPTGBTQFDGNNAZ-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