General Information of the Compound
| Compound ID |
CP0511374
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| Compound Name |
2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-(5-methyl-thiophen-2-yl)-2H-chromene-3-carboxylic acid
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| Structure |
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| Formula |
C25H22O6S
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| Molecular Weight |
450.512
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| Canonical SMILES |
CC(C)Oc1ccc2OC(C(C(O)=O)=C(c3ccc(C)s3)c2c1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C25H22O6S/c1-13(2)30-16-6-8-18-17(11-16)22(21-9-4-14(3)32-21)23(25(26)27)24(31-18)15-5-7-19-20(10-15)29-12-28-19/h4-11,13,24H,12H2,1-3H3,(H,26,27)
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| InChIKey |
FSKVJGRQYIHVTI-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