General Information of the Compound
| Compound ID |
CP0545342
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| Compound Name |
4-N-[[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-2-fluoro-1-N-methylbenzene-1,4-dicarboxamide
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| Structure |
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| Formula |
C21H15F4N5O2
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| Molecular Weight |
445.376
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| Canonical SMILES |
CNC(=O)c1ccc(cc1F)C(=O)NCc1ccn(n1)-c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H15F4N5O2/c1-27-20(32)16-5-3-12(8-18(16)22)19(31)28-11-14-6-7-30(29-14)15-4-2-13(10-26)17(9-15)21(23,24)25/h2-9H,11H2,1H3,(H,27,32)(H,28,31)
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| InChIKey |
BANASQKGMMDPQV-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