General Information of the Compound
| Compound ID |
CP0455953
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| Compound Name |
2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)-(4-phenylbutyl)amino]methyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C29H33NO6
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| Molecular Weight |
491.584
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| Canonical SMILES |
COc1cc(cc(OC)c1C)C(=O)N(CCCCc1ccccc1)Cc1ccc(OCC(O)=O)cc1
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| InChI |
InChI=1S/C29H33NO6/c1-21-26(34-2)17-24(18-27(21)35-3)29(33)30(16-8-7-11-22-9-5-4-6-10-22)19-23-12-14-25(15-13-23)36-20-28(31)32/h4-6,9-10,12-15,17-18H,7-8,11,16,19-20H2,1-3H3,(H,31,32)
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| InChIKey |
BITAYMUUSWSMNW-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