General Information of the Compound
| Compound ID |
CP0411529
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| Compound Name |
(2S)-N-[(1R)-2-hydroxy-1-[2-methyl-6-[(2S)-2-methylbutoxy]pyridin-3-yl]ethyl]-2-phenylpropanamide
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| Structure |
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| Formula |
C22H30N2O3
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| Molecular Weight |
370.493
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| Canonical SMILES |
CC[C@H](C)COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)c(C)n1
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| InChI |
InChI=1S/C22H30N2O3/c1-5-15(2)14-27-21-12-11-19(17(4)23-21)20(13-25)24-22(26)16(3)18-9-7-6-8-10-18/h6-12,15-16,20,25H,5,13-14H2,1-4H3,(H,24,26)/t15-,16-,20-/m0/s1
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| InChIKey |
AKHOLLDFJCNZSY-FTRWYGJKSA-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