General Information of the Compound
| Compound ID |
CP0198477
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| Compound Name |
3-(4-methoxyphenyl)-7-[2-(2-piperidin-1-ylethoxy)ethoxy]chromen-4-one
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| Structure |
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| Formula |
C25H29NO5
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| Molecular Weight |
423.509
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| Canonical SMILES |
COc1ccc(cc1)-c1coc2cc(OCCOCCN3CCCCC3)ccc2c1=O
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| InChI |
InChI=1S/C25H29NO5/c1-28-20-7-5-19(6-8-20)23-18-31-24-17-21(9-10-22(24)25(23)27)30-16-15-29-14-13-26-11-3-2-4-12-26/h5-10,17-18H,2-4,11-16H2,1H3
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| InChIKey |
ATLHCIRVSZLKAB-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