General Information of the Compound
| Compound ID |
CP0494566
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| Compound Name |
(2S)-N-[(1R)-2-amino-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]-2-phenylpropanamide
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| Structure |
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| Formula |
C22H30N2O2
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| Molecular Weight |
354.494
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| Canonical SMILES |
CC[C@H](C)COc1ccc(cc1)[C@H](CN)NC(=O)[C@@H](C)c1ccccc1
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| InChI |
InChI=1S/C22H30N2O2/c1-4-16(2)15-26-20-12-10-19(11-13-20)21(14-23)24-22(25)17(3)18-8-6-5-7-9-18/h5-13,16-17,21H,4,14-15,23H2,1-3H3,(H,24,25)/t16-,17-,21-/m0/s1
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| InChIKey |
FYQZVYARTJVLPK-FIKGOQFSSA-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