General Information of the Compound
| Compound ID |
CP0495042
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| Compound Name |
N-[(3-ethynyl-4-hydroxy-5-methoxyphenyl)methyl]nonanamide
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| Structure |
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| Formula |
C19H27NO3
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| Molecular Weight |
317.429
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| Canonical SMILES |
CCCCCCCCC(=O)NCc1cc(OC)c(O)c(c1)C#C
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| InChI |
InChI=1S/C19H27NO3/c1-4-6-7-8-9-10-11-18(21)20-14-15-12-16(5-2)19(22)17(13-15)23-3/h2,12-13,22H,4,6-11,14H2,1,3H3,(H,20,21)
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| InChIKey |
QWOMNESNGFZKAG-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