General Information of the Compound
| Compound ID |
CP0421884
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| Compound Name |
3-((Benzylamino)methyl)-5-(cyclohexylmethoxy)-4Hchromen-4-one
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| Structure |
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| Formula |
C24H27NO3
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| Molecular Weight |
377.484
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| Canonical SMILES |
O=c1c(CNCc2ccccc2)coc2cccc(OCC3CCCCC3)c12
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| InChI |
InChI=1S/C24H27NO3/c26-24-20(15-25-14-18-8-3-1-4-9-18)17-28-22-13-7-12-21(23(22)24)27-16-19-10-5-2-6-11-19/h1,3-4,7-9,12-13,17,19,25H,2,5-6,10-11,14-16H2
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| InChIKey |
HWHNMXYQGYHPHV-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