General Information of the Compound
| Compound ID |
CP0578069
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| Compound Name |
N-[2-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]-4-fluorobenzamide
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| Structure |
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| Formula |
C20H14F4N4O
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| Molecular Weight |
402.351
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)NCCc1ccn(n1)-c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H14F4N4O/c21-15-4-1-13(2-5-15)19(29)26-9-7-16-8-10-28(27-16)17-6-3-14(12-25)18(11-17)20(22,23)24/h1-6,8,10-11H,7,9H2,(H,26,29)
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| InChIKey |
DYOSRHUKNILBHU-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