General Information of the Compound
| Compound ID |
CP0430573
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| Compound Name |
3-[2-({[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-methylbutyl]amino}carbonyl)-4-(phenoxymethyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C30H33NO6
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| Molecular Weight |
503.595
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| Canonical SMILES |
CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C30H33NO6/c1-20(2)16-26(23-10-12-27-28(18-23)36-15-14-35-27)31-30(34)25-17-21(8-9-22(25)11-13-29(32)33)19-37-24-6-4-3-5-7-24/h3-10,12,17-18,20,26H,11,13-16,19H2,1-2H3,(H,31,34)(H,32,33)
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| InChIKey |
XRJORJOEXYTMGE-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