General Information of the Compound
| Compound ID |
CP0571980
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| Compound Name |
N-[[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4-nitrobenzamide
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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(cc1)C(=O)NCc1ccn(n1)-c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C19H12F3N5O3/c20-19(21,22)17-9-16(6-3-13(17)10-23)26-8-7-14(25-26)11-24-18(28)12-1-4-15(5-2-12)27(29)30/h1-9H,11H2,(H,24,28)
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| InChIKey |
CZSPHGXFNDQNQQ-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