General Information of the Compound
| Compound ID |
CP0561943
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| Compound Name |
1-ethyl-3-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C17H14F3N3O3
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| Molecular Weight |
365.311
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| Canonical SMILES |
CCn1cc(C(=O)Nc2ccc3c(cc(=O)oc3c2)C(F)(F)F)c(C)n1
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| InChI |
InChI=1S/C17H14F3N3O3/c1-3-23-8-12(9(2)22-23)16(25)21-10-4-5-11-13(17(18,19)20)7-15(24)26-14(11)6-10/h4-8H,3H2,1-2H3,(H,21,25)
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| InChIKey |
HBTORGJMCCKUAW-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