General Information of the Compound
| Compound ID |
CP0578085
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| Compound Name |
2-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrazol-3-yl]-N-(4-nitrophenyl)acetamide
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| Structure |
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| Formula |
C19H12F3N5O3
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| Molecular Weight |
415.331
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| Canonical SMILES |
[O-][N+](=O)c1ccc(NC(=O)Cc2ccn(n2)-c2ccc(C#N)c(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C19H12F3N5O3/c20-19(21,22)17-10-16(4-1-12(17)11-23)26-8-7-14(25-26)9-18(28)24-13-2-5-15(6-3-13)27(29)30/h1-8,10H,9H2,(H,24,28)
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| InChIKey |
JBAVEYJQEYBXOK-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