General Information of the Compound
| Compound ID |
CP0913302
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| Compound Name |
[2-[(2R)-2-hydroxy-3-(propylamino)propoxy]-5-methylphenyl]-phenylmethanone
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| Structure |
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| Formula |
C20H25NO3
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| Molecular Weight |
327.424
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| Canonical SMILES |
CCCNC[C@@H](O)COc1ccc(C)cc1C(=O)c1ccccc1
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| InChI |
InChI=1S/C20H25NO3/c1-3-11-21-13-17(22)14-24-19-10-9-15(2)12-18(19)20(23)16-7-5-4-6-8-16/h4-10,12,17,21-22H,3,11,13-14H2,1-2H3/t17-/m1/s1
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| InChIKey |
MCVQRUTWBOKICU-QGZVFWFLSA-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