General Information of the Compound
| Compound ID |
CP0440301
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| Compound Name |
5-[3-[(3-hydroxyphenyl)methoxy]azetidin-1-yl]-5-methyl-2,2-diphenylhexanamide
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| Structure |
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| Formula |
C29H34N2O3
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| Molecular Weight |
458.602
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| Canonical SMILES |
CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)OCc1cccc(O)c1
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| InChI |
InChI=1S/C29H34N2O3/c1-28(2,31-19-26(20-31)34-21-22-10-9-15-25(32)18-22)16-17-29(27(30)33,23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-15,18,26,32H,16-17,19-21H2,1-2H3,(H2,30,33)
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| InChIKey |
LOLYQCAGADWETQ-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