General Information of the Compound
| Compound ID |
CP0491290
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| Compound Name |
5,7-dimethoxy-3-(3-pyrrolidin-1-ylpropoxy)-2-(3,4,5-trimethoxyphenyl)chromen-4-one
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| Structure |
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| Formula |
C27H33NO8
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| Molecular Weight |
499.56
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| Canonical SMILES |
COc1cc(OC)c2c(c1)oc(-c1cc(OC)c(OC)c(OC)c1)c(OCCCN1CCCC1)c2=O
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| InChI |
InChI=1S/C27H33NO8/c1-30-18-15-19(31-2)23-20(16-18)36-25(17-13-21(32-3)26(34-5)22(14-17)33-4)27(24(23)29)35-12-8-11-28-9-6-7-10-28/h13-16H,6-12H2,1-5H3
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| InChIKey |
WVEDUZAMEOLSJQ-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