General Information of the Compound
| Compound ID |
CP0448314
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| Compound Name |
2-Benzo[1,3]dioxol-5-yl-6-benzyloxy-4-(4-methoxy-phenyl)-2H-chromene-3-carboxylic acid
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| Structure |
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| Formula |
C31H24O7
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| Molecular Weight |
508.526
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| Canonical SMILES |
COc1ccc(cc1)C1=C(C(Oc2ccc(OCc3ccccc3)cc12)c1ccc2OCOc2c1)C(O)=O
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| InChI |
InChI=1S/C31H24O7/c1-34-22-10-7-20(8-11-22)28-24-16-23(35-17-19-5-3-2-4-6-19)12-14-25(24)38-30(29(28)31(32)33)21-9-13-26-27(15-21)37-18-36-26/h2-16,30H,17-18H2,1H3,(H,32,33)
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| InChIKey |
CNCGFZQOGNWAMP-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