General Information of the Compound
| Compound ID |
CP0541508
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| Compound Name |
N-[[5-(cyclohexylmethoxy)-4-oxochromen-3-yl]methyl]-N-(2-hydroxyethyl)butanamide
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| Structure |
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| Formula |
C23H31NO5
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| Molecular Weight |
401.503
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| Canonical SMILES |
CCCC(=O)N(CCO)Cc1coc2cccc(OCC3CCCCC3)c2c1=O
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| InChI |
InChI=1S/C23H31NO5/c1-2-7-21(26)24(12-13-25)14-18-16-29-20-11-6-10-19(22(20)23(18)27)28-15-17-8-4-3-5-9-17/h6,10-11,16-17,25H,2-5,7-9,12-15H2,1H3
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| InChIKey |
GHUYGQFIYHFZEW-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