General Information of the Compound
| Compound ID |
CP0548597
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| Compound Name |
N-[(E)-1-(1-adamantyl)ethylideneamino]-4-(trifluoromethyl)benzamide
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| Formula |
C20H23F3N2O
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| Molecular Weight |
364.411
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| Canonical SMILES |
C\C(=N/NC(=O)c1ccc(cc1)C(F)(F)F)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C20H23F3N2O/c1-12(19-9-13-6-14(10-19)8-15(7-13)11-19)24-25-18(26)16-2-4-17(5-3-16)20(21,22)23/h2-5,13-15H,6-11H2,1H3,(H,25,26)/b24-12+
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| InChIKey |
HOAYPFVMBQQKRS-WYMPLXKRSA-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