General Information of the Compound
| Compound ID |
CP0578343
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| Compound Name |
N-[2-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]-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 |
[O-][N+](=O)c1ccc(cc1)C(=O)NCCc1ccn(n1)-c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H14F3N5O3/c21-20(22,23)18-11-17(6-3-14(18)12-24)27-10-8-15(26-27)7-9-25-19(29)13-1-4-16(5-2-13)28(30)31/h1-6,8,10-11H,7,9H2,(H,25,29)
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| InChIKey |
CHDOJNWKZWGGKU-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