General Information of the Compound
| Compound ID |
CP0483888
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| Compound Name |
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C17H17ClF3N5O3
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| Molecular Weight |
431.802
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| Canonical SMILES |
Cc1c(Cl)c(nn1CC(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)C(F)(F)F
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| InChI |
InChI=1S/C17H17ClF3N5O3/c1-11-15(18)16(17(19,20)21)22-25(11)10-14(27)24-8-6-23(7-9-24)12-2-4-13(5-3-12)26(28)29/h2-5H,6-10H2,1H3
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| InChIKey |
XYVPPGYWYCFKHX-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