General Information of the Compound
| Compound ID |
CP0578070
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| Compound Name |
N-(6-fluoropyridin-3-yl)-2-[1-[4-nitro-3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
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| Structure |
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| Formula |
C17H11F4N5O3
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| Molecular Weight |
409.299
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1C(F)(F)F)-n1ccc(CC(=O)Nc2ccc(F)nc2)n1
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| InChI |
InChI=1S/C17H11F4N5O3/c18-15-4-1-11(9-22-15)23-16(27)7-10-5-6-25(24-10)12-2-3-14(26(28)29)13(8-12)17(19,20)21/h1-6,8-9H,7H2,(H,23,27)
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| InChIKey |
VMNMLROOGKPMCT-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