General Information of the Compound
| Compound ID |
CP0393690
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| Compound Name |
2-Benzo[1,3]dioxol-5-yl-6-isopropyl-4-(4-methoxy-phenyl)-2H-chromene-3-carboxylic acid
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| Structure |
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| Formula |
C27H24O6
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| Molecular Weight |
444.483
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| Canonical SMILES |
COc1ccc(cc1)C1=C(C(Oc2ccc(cc12)C(C)C)c1ccc2OCOc2c1)C(O)=O
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| InChI |
InChI=1S/C27H24O6/c1-15(2)17-6-10-21-20(12-17)24(16-4-8-19(30-3)9-5-16)25(27(28)29)26(33-21)18-7-11-22-23(13-18)32-14-31-22/h4-13,15,26H,14H2,1-3H3,(H,28,29)
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| InChIKey |
ILKOXQHPEWLJQB-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