General Information of the Compound
| Compound ID |
CP0476712
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| Compound Name |
2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-pentyl-2H-chromene-3-carboxylic acid
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| Structure |
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| Formula |
C25H28O6
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| Molecular Weight |
424.493
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| Canonical SMILES |
CCCCCC1=C(C(Oc2ccc(OC(C)C)cc12)c1ccc2OCOc2c1)C(O)=O
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| InChI |
InChI=1S/C25H28O6/c1-4-5-6-7-18-19-13-17(30-15(2)3)9-11-20(19)31-24(23(18)25(26)27)16-8-10-21-22(12-16)29-14-28-21/h8-13,15,24H,4-7,14H2,1-3H3,(H,26,27)
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| InChIKey |
NXTFWIYFQRCCLO-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