General Information of the Compound
| Compound ID |
CP0381045
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| Compound Name |
3-[[(4-chlorophenyl)methyl-(2-hydroxyethyl)amino]methyl]-5-(cyclohexylmethoxy)chromen-4-one
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| Structure |
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| Formula |
C26H30ClNO4
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| Molecular Weight |
455.982
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| Canonical SMILES |
OCCN(Cc1ccc(Cl)cc1)Cc1coc2cccc(OCC3CCCCC3)c2c1=O
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| InChI |
InChI=1S/C26H30ClNO4/c27-22-11-9-19(10-12-22)15-28(13-14-29)16-21-18-32-24-8-4-7-23(25(24)26(21)30)31-17-20-5-2-1-3-6-20/h4,7-12,18,20,29H,1-3,5-6,13-17H2
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| InChIKey |
DBPJFCWACKLJGC-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