General Information of the Compound
| Compound ID |
CP0875948
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| Compound Name |
1-[2-[(2R)-2-hydroxy-3-(propylamino)propoxy]-5-phenylmethoxyphenyl]-3-phenylpropan-1-one
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| Structure |
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| Formula |
C28H33NO4
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| Molecular Weight |
447.575
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| Canonical SMILES |
CCCNC[C@@H](O)COc1ccc(OCc2ccccc2)cc1C(=O)CCc1ccccc1
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| InChI |
InChI=1S/C28H33NO4/c1-2-17-29-19-24(30)21-33-28-16-14-25(32-20-23-11-7-4-8-12-23)18-26(28)27(31)15-13-22-9-5-3-6-10-22/h3-12,14,16,18,24,29-30H,2,13,15,17,19-21H2,1H3/t24-/m1/s1
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| InChIKey |
XTBRTGWDWTYTTK-XMMPIXPASA-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