General Information of the Compound
| Compound ID |
CP0496397
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| Compound Name |
2-Benzo[1,3]dioxol-5-yl-4-(4-benzyloxy-phenyl)-6-isopropoxy-2H-chromene-3-carboxylic acid
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| Structure |
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| Formula |
C33H28O7
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| Molecular Weight |
536.58
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| Canonical SMILES |
CC(C)Oc1ccc2OC(C(C(O)=O)=C(c3ccc(OCc4ccccc4)cc3)c2c1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C33H28O7/c1-20(2)39-25-13-15-27-26(17-25)30(22-8-11-24(12-9-22)36-18-21-6-4-3-5-7-21)31(33(34)35)32(40-27)23-10-14-28-29(16-23)38-19-37-28/h3-17,20,32H,18-19H2,1-2H3,(H,34,35)
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| InChIKey |
QJCMOVRIHPFGSP-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