General Information of the Compound
| Compound ID |
CP0475412
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| Compound Name |
3-(4-hydroxyphenyl)-7-(4-piperidin-1-ylbutoxy)chromen-4-one;hydrobromide
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| Structure |
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| Formula |
C24H28BrNO4
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| Molecular Weight |
474.395
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| Canonical SMILES |
Br.Oc1ccc(cc1)-c1coc2cc(OCCCCN3CCCCC3)ccc2c1=O
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| InChI |
InChI=1S/C24H27NO4.BrH/c26-19-8-6-18(7-9-19)22-17-29-23-16-20(10-11-21(23)24(22)27)28-15-5-4-14-25-12-2-1-3-13-25;/h6-11,16-17,26H,1-5,12-15H2;1H
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| InChIKey |
ZIORHCLOSSQUDK-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