General Information of the Compound
| Compound ID |
CP0541676
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| Compound Name |
4-{2-Hydroxy-3-[2-(3-phenyl-propionyl)-phenoxy]-propylamino}-benzoic acid methyl ester
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| Structure |
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| Formula |
C26H27NO5
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| Molecular Weight |
433.504
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| Canonical SMILES |
COC(=O)c1ccc(NCC(O)COc2ccccc2C(=O)CCc2ccccc2)cc1
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| InChI |
InChI=1S/C26H27NO5/c1-31-26(30)20-12-14-21(15-13-20)27-17-22(28)18-32-25-10-6-5-9-23(25)24(29)16-11-19-7-3-2-4-8-19/h2-10,12-15,22,27-28H,11,16-18H2,1H3
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| InChIKey |
VBNFKJNDCWHXKO-UHFFFAOYSA-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