General Information of the Compound
| Compound ID |
CP0535285
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| Compound Name |
2-Benzo[1,3]dioxol-5-yl-4-cyclohexylmethyl-6-isopropoxy-2H-chromene-3-carboxylic acid
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| Structure |
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| Formula |
C27H30O6
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| Molecular Weight |
450.531
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| Canonical SMILES |
CC(C)Oc1ccc2OC(C(C(O)=O)=C(CC3CCCCC3)c2c1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C27H30O6/c1-16(2)32-19-9-11-22-20(14-19)21(12-17-6-4-3-5-7-17)25(27(28)29)26(33-22)18-8-10-23-24(13-18)31-15-30-23/h8-11,13-14,16-17,26H,3-7,12,15H2,1-2H3,(H,28,29)
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| InChIKey |
XYTVOWUHDSVFDD-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