General Information of the Compound
| Compound ID |
CP0543159
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| Compound Name |
(2S)-N-[(1R)-1-[2,6-dimethyl-4-[(2S)-2-methylbutoxy]phenyl]-2-hydroxyethyl]-2-phenylpropanamide
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| Structure |
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| Formula |
C24H33NO3
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| Molecular Weight |
383.532
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| Canonical SMILES |
CC[C@H](C)COc1cc(C)c([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)c(C)c1
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| InChI |
InChI=1S/C24H33NO3/c1-6-16(2)15-28-21-12-17(3)23(18(4)13-21)22(14-26)25-24(27)19(5)20-10-8-7-9-11-20/h7-13,16,19,22,26H,6,14-15H2,1-5H3,(H,25,27)/t16-,19-,22-/m0/s1
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| InChIKey |
RLJMVXUWVSDLMI-BPXKWBHBSA-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