General Information of the Compound
| Compound ID |
CP0445555
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| Compound Name |
[1-methoxy-3-[4-(4-phenylphenyl)butanoylamino]propan-2-yl] 4-(4-phenylphenyl)butanoate
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| Structure |
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| Formula |
C36H39NO4
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| Molecular Weight |
549.711
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| Canonical SMILES |
COCC(CNC(=O)CCCc1ccc(cc1)-c1ccccc1)OC(=O)CCCc1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C36H39NO4/c1-40-27-34(41-36(39)17-9-11-29-20-24-33(25-21-29)31-14-6-3-7-15-31)26-37-35(38)16-8-10-28-18-22-32(23-19-28)30-12-4-2-5-13-30/h2-7,12-15,18-25,34H,8-11,16-17,26-27H2,1H3,(H,37,38)
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| InChIKey |
RGQPOAHPHJPXGS-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