General Information of the Compound
Compound ID |
CP0125672
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Compound Name |
2-[4-[6-(azepan-1-yl)hexoxy]phenyl]-6-methylchromen-4-one
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Structure |
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Formula |
C28H35NO3
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Molecular Weight |
433.592
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Canonical SMILES |
Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCCCN2CCCCCC2)cc1
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InChI |
InChI=1S/C28H35NO3/c1-22-10-15-27-25(20-22)26(30)21-28(32-27)23-11-13-24(14-12-23)31-19-9-5-4-8-18-29-16-6-2-3-7-17-29/h10-15,20-21H,2-9,16-19H2,1H3
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InChIKey |
UKIGXRPAJQOYHR-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