General Information of the Compound
| Compound ID |
CP0514193
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| Compound Name |
5-(cyclohexylmethoxy)-3-[[2-hydroxyethyl(pyridin-4-ylmethyl)amino]methyl]chromen-4-one
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| Structure |
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| Formula |
C25H30N2O4
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| Molecular Weight |
422.525
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| Canonical SMILES |
OCCN(Cc1ccncc1)Cc1coc2cccc(OCC3CCCCC3)c2c1=O
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| InChI |
InChI=1S/C25H30N2O4/c28-14-13-27(15-19-9-11-26-12-10-19)16-21-18-31-23-8-4-7-22(24(23)25(21)29)30-17-20-5-2-1-3-6-20/h4,7-12,18,20,28H,1-3,5-6,13-17H2
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| InChIKey |
UAYBUNZCRIBZLD-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