General Information of the Compound
| Compound ID |
CP0578754
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| Compound Name |
N-[[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-6-fluoropyridine-3-carboxamide
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| Structure |
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| Formula |
C18H11F4N5O
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| Molecular Weight |
389.312
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| Canonical SMILES |
Fc1ccc(cn1)C(=O)NCc1ccn(n1)-c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C18H11F4N5O/c19-16-4-2-12(9-24-16)17(28)25-10-13-5-6-27(26-13)14-3-1-11(8-23)15(7-14)18(20,21)22/h1-7,9H,10H2,(H,25,28)
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| InChIKey |
NWZRXYZHUCBGNI-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