General Information of the Compound
| Compound ID |
CP0561052
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| Compound Name |
(2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-(methylamino)-2-phenylacetamide
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| Structure |
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| Formula |
C23H32N2O3
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| Molecular Weight |
384.52
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| Canonical SMILES |
CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@@H](NC)c1ccccc1
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| InChI |
InChI=1S/C23H32N2O3/c1-4-8-17(2)16-28-20-13-11-18(12-14-20)21(15-26)25-23(27)22(24-3)19-9-6-5-7-10-19/h5-7,9-14,17,21-22,24,26H,4,8,15-16H2,1-3H3,(H,25,27)/t17?,21-,22-/m0/s1
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| InChIKey |
JLTAEUZQZRMWSH-VNQANMTISA-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