General Information of the Compound
| Compound ID |
CP0552258
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| Compound Name |
CHEMBL4849361
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| Formula |
C13H13F3N2O3
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| Molecular Weight |
302.252
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| Canonical SMILES |
CCOC(=O)C(=N/Nc1ccc(C)cc1)\C(=O)C(F)(F)F
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| InChI |
InChI=1S/C13H13F3N2O3/c1-3-21-12(20)10(11(19)13(14,15)16)18-17-9-6-4-8(2)5-7-9/h4-7,17H,3H2,1-2H3/b18-10-
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| InChIKey |
MXVXMWJOHZMDDT-ZDLGFXPLSA-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