General Information of the Compound
| Compound ID |
CP0470840
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| Compound Name |
1-[[5-(cyclohexylmethoxy)-4-oxochromen-3-yl]methyl]-1-(2-hydroxyethyl)-3-(4-methoxyphenyl)urea
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| Structure |
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| Formula |
C27H32N2O6
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| Molecular Weight |
480.561
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| Canonical SMILES |
COc1ccc(NC(=O)N(CCO)Cc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1
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| InChI |
InChI=1S/C27H32N2O6/c1-33-22-12-10-21(11-13-22)28-27(32)29(14-15-30)16-20-18-35-24-9-5-8-23(25(24)26(20)31)34-17-19-6-3-2-4-7-19/h5,8-13,18-19,30H,2-4,6-7,14-17H2,1H3,(H,28,32)
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| InChIKey |
DNBSUQSPTAHHNH-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