General Information of the Compound
| Compound ID |
CP0458858
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| Compound Name |
4-Benzo[1,3]dioxol-5-yl-6-butoxy-2-(4-cyclopentyloxy-phenyl)-2H-chromene-3-carboxylic acid
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| Structure |
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| Formula |
C32H32O7
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| Molecular Weight |
528.601
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| Canonical SMILES |
CCCCOc1ccc2OC(C(C(O)=O)=C(c3ccc4OCOc4c3)c2c1)c1ccc(OC2CCCC2)cc1
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| InChI |
InChI=1S/C32H32O7/c1-2-3-16-35-24-13-15-26-25(18-24)29(21-10-14-27-28(17-21)37-19-36-27)30(32(33)34)31(39-26)20-8-11-23(12-9-20)38-22-6-4-5-7-22/h8-15,17-18,22,31H,2-7,16,19H2,1H3,(H,33,34)
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| InChIKey |
YYYQJJOAIXBKSQ-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