General Information of the Compound
| Compound ID |
CP0497933
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| Compound Name |
4-Benzo[1,3]dioxol-5-yl-6-isopropoxy-2-(4-isopropyl-phenyl)-2H-chromene-3-carboxylic acid
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| Structure |
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| Formula |
C29H28O6
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| Molecular Weight |
472.537
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| Canonical SMILES |
CC(C)Oc1ccc2OC(C(C(O)=O)=C(c3ccc4OCOc4c3)c2c1)c1ccc(cc1)C(C)C
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| InChI |
InChI=1S/C29H28O6/c1-16(2)18-5-7-19(8-6-18)28-27(29(30)31)26(20-9-11-24-25(13-20)33-15-32-24)22-14-21(34-17(3)4)10-12-23(22)35-28/h5-14,16-17,28H,15H2,1-4H3,(H,30,31)
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| InChIKey |
YJJDTZWFCKLRED-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