General Information of the Compound
| Compound ID |
CP0498099
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| Compound Name |
(2S)-N-[(1R)-2-hydroxy-1-[4-(oxetan-2-ylmethoxy)phenyl]ethyl]-2-phenylpropanamide
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| Structure |
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| Formula |
C21H25NO4
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| Molecular Weight |
355.434
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| Canonical SMILES |
C[C@H](C(=O)N[C@@H](CO)c1ccc(OCC2CCO2)cc1)c1ccccc1
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| InChI |
InChI=1S/C21H25NO4/c1-15(16-5-3-2-4-6-16)21(24)22-20(13-23)17-7-9-18(10-8-17)26-14-19-11-12-25-19/h2-10,15,19-20,23H,11-14H2,1H3,(H,22,24)/t15-,19?,20-/m0/s1
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| InChIKey |
UUOMXEMSTHLAMF-VBSNWNEZSA-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