General Information of the Compound
| Compound ID |
CP0398743
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| Compound Name |
(2S)-N-[(1R)-2-(dimethylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide
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| Structure |
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| Formula |
C25H36N2O2
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| Molecular Weight |
396.575
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| Canonical SMILES |
CCCC(C)COc1ccc(cc1)[C@H](CN(C)C)NC(=O)[C@@H](C)c1ccccc1
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| InChI |
InChI=1S/C25H36N2O2/c1-6-10-19(2)18-29-23-15-13-22(14-16-23)24(17-27(4)5)26-25(28)20(3)21-11-8-7-9-12-21/h7-9,11-16,19-20,24H,6,10,17-18H2,1-5H3,(H,26,28)/t19?,20-,24-/m0/s1
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| InChIKey |
HIRRPDKPLQSEIP-LZJVKYBRSA-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