General Information of the Compound
| Compound ID |
CP0408634
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| Compound Name |
1-[[5-(3,3-dimethylbutoxy)-4-oxochromen-3-yl]methyl]-1-(2-hydroxyethyl)-3-phenylurea
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| Structure |
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| Formula |
C25H30N2O5
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| Molecular Weight |
438.524
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| Canonical SMILES |
CC(C)(C)CCOc1cccc2occ(CN(CCO)C(=O)Nc3ccccc3)c(=O)c12
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| InChI |
InChI=1S/C25H30N2O5/c1-25(2,3)12-15-31-20-10-7-11-21-22(20)23(29)18(17-32-21)16-27(13-14-28)24(30)26-19-8-5-4-6-9-19/h4-11,17,28H,12-16H2,1-3H3,(H,26,30)
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| InChIKey |
RCXBWQAKZRKJTO-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