General Information of the Compound
| Compound ID |
CP0378695
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| Compound Name |
N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]benzamide
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| Structure |
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| Formula |
C21H27NO3
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| Molecular Weight |
341.451
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| Canonical SMILES |
CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)c1ccccc1
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| InChI |
InChI=1S/C21H27NO3/c1-3-7-16(2)15-25-19-12-10-17(11-13-19)20(14-23)22-21(24)18-8-5-4-6-9-18/h4-6,8-13,16,20,23H,3,7,14-15H2,1-2H3,(H,22,24)/t16?,20-/m0/s1
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| InChIKey |
WFBXZWQTUSXOCC-FZCLLLDFSA-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