General Information of the Compound
| Compound ID |
CP0562777
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| Compound Name |
1-(2-hydroxyethyl)-1-[[5-(3-methylbutoxy)-4-oxochromen-3-yl]methyl]-3-phenylurea
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| Structure |
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| Formula |
C24H28N2O5
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| Molecular Weight |
424.497
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| Canonical SMILES |
CC(C)CCOc1cccc2occ(CN(CCO)C(=O)Nc3ccccc3)c(=O)c12
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| InChI |
InChI=1S/C24H28N2O5/c1-17(2)11-14-30-20-9-6-10-21-22(20)23(28)18(16-31-21)15-26(12-13-27)24(29)25-19-7-4-3-5-8-19/h3-10,16-17,27H,11-15H2,1-2H3,(H,25,29)
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| InChIKey |
IPWUUAKOYVEDSG-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