General Information of the Compound
| Compound ID |
CP0372725
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| Compound Name |
2-Benzo[1,3]dioxol-5-yl-4-(4-isopropyl-phenyl)-2H-chromene-3-carboxylic acid
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| Structure |
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| Formula |
C26H22O5
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| Molecular Weight |
414.457
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| Canonical SMILES |
CC(C)c1ccc(cc1)C1=C(C(Oc2ccccc12)c1ccc2OCOc2c1)C(O)=O
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| InChI |
InChI=1S/C26H22O5/c1-15(2)16-7-9-17(10-8-16)23-19-5-3-4-6-20(19)31-25(24(23)26(27)28)18-11-12-21-22(13-18)30-14-29-21/h3-13,15,25H,14H2,1-2H3,(H,27,28)
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| InChIKey |
VQPKQBMUTVZRRZ-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