General Information of the Compound
| Compound ID |
CP0541528
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| Compound Name |
3-benzyl-1-[[5-(cyclohexylmethoxy)-4-oxochromen-3-yl]methyl]-1-(2-hydroxyethyl)urea
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| Structure |
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| Formula |
C27H32N2O5
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| Molecular Weight |
464.562
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| Canonical SMILES |
OCCN(Cc1coc2cccc(OCC3CCCCC3)c2c1=O)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C27H32N2O5/c30-15-14-29(27(32)28-16-20-8-3-1-4-9-20)17-22-19-34-24-13-7-12-23(25(24)26(22)31)33-18-21-10-5-2-6-11-21/h1,3-4,7-9,12-13,19,21,30H,2,5-6,10-11,14-18H2,(H,28,32)
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| InChIKey |
KZFPJVZEVDVNBB-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