General Information of the Compound
| Compound ID |
CP0445457
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| Compound Name |
3-[4-(diethylamino)butoxy]-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
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| Structure |
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| Formula |
C28H37NO8
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| Molecular Weight |
515.603
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| Canonical SMILES |
CCN(CC)CCCCOc1c(oc2cc(OC)cc(OC)c2c1=O)-c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C28H37NO8/c1-8-29(9-2)12-10-11-13-36-28-25(30)24-20(32-4)16-19(31-3)17-21(24)37-26(28)18-14-22(33-5)27(35-7)23(15-18)34-6/h14-17H,8-13H2,1-7H3
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| InChIKey |
NXOSWWNEGXBKSA-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