General Information of the Compound
| Compound ID |
CP0513707
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| Compound Name |
1-[5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone
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| Structure |
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| Formula |
C18H14F3N3O4
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| Molecular Weight |
393.321
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| Canonical SMILES |
OC1(CC(=NN1C(=O)Cc1ccccc1)c1cccc(c1)[N+]([O-])=O)C(F)(F)F
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| InChI |
InChI=1S/C18H14F3N3O4/c19-18(20,21)17(26)11-15(13-7-4-8-14(10-13)24(27)28)22-23(17)16(25)9-12-5-2-1-3-6-12/h1-8,10,26H,9,11H2
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| InChIKey |
NUUQWGHNDUYOED-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