General Information of the Compound
Compound ID |
CP0478250
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Compound Name |
5,7-dimethoxy-3-(4-piperidin-1-ylbutoxy)-2-(3,4,5-trimethoxyphenyl)chromen-4-one
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Structure |
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Formula |
C29H37NO8
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Molecular Weight |
527.614
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Canonical SMILES |
COc1cc(OC)c2c(c1)oc(-c1cc(OC)c(OC)c(OC)c1)c(OCCCCN1CCCCC1)c2=O
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InChI |
InChI=1S/C29H37NO8/c1-32-20-17-21(33-2)25-22(18-20)38-27(19-15-23(34-3)28(36-5)24(16-19)35-4)29(26(25)31)37-14-10-9-13-30-11-7-6-8-12-30/h15-18H,6-14H2,1-5H3
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InChIKey |
IPAIKMDYRHAXLO-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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