General Information of the Compound
| Compound ID |
CP0524225
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| Compound Name |
2-(1-adamantyl)-N-(5-methoxy-2-methylphenyl)acetamide
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| Structure |
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| Formula |
C20H27NO2
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| Molecular Weight |
313.441
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| Canonical SMILES |
COc1ccc(C)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1
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| InChI |
InChI=1S/C20H27NO2/c1-13-3-4-17(23-2)8-18(13)21-19(22)12-20-9-14-5-15(10-20)7-16(6-14)11-20/h3-4,8,14-16H,5-7,9-12H2,1-2H3,(H,21,22)
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| InChIKey |
APLGQRPVXWWNAW-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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