General Information of the Compound
| Compound ID |
CP0572479
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| Compound Name |
N-(3-ethyl-1-adamantyl)-4-(trifluoromethyl)benzamide
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| Formula |
C20H24F3NO
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| Molecular Weight |
351.412
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| Canonical SMILES |
CCC12CC3CC(C1)CC(C3)(C2)NC(=O)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H24F3NO/c1-2-18-8-13-7-14(9-18)11-19(10-13,12-18)24-17(25)15-3-5-16(6-4-15)20(21,22)23/h3-6,13-14H,2,7-12H2,1H3,(H,24,25)
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| InChIKey |
WCVYWULSGLUOBF-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