General Information of the Compound
| Compound ID |
CP0578342
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| Compound Name |
N-[[1-[4-cyano-3-(trifluoromethyl)phenyl]-4-methylpyrazol-3-yl]methyl]-4-nitrobenzamide
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| Structure |
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| Formula |
C20H14F3N5O3
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| Molecular Weight |
429.358
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| Canonical SMILES |
Cc1cn(nc1CNC(=O)c1ccc(cc1)[N+]([O-])=O)-c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H14F3N5O3/c1-12-11-27(16-7-4-14(9-24)17(8-16)20(21,22)23)26-18(12)10-25-19(29)13-2-5-15(6-3-13)28(30)31/h2-8,11H,10H2,1H3,(H,25,29)
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| InChIKey |
JNBPMYURRQJNGT-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