General Information of the Compound
| Compound ID |
CP0560452
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| Compound Name |
1-[[5-(cyclohexylmethoxy)-4-oxochromen-3-yl]methyl]-1-(2-hydroxyethyl)-3-(3-phenylpropyl)urea
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| Structure |
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| Formula |
C29H36N2O5
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| Molecular Weight |
492.616
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| Canonical SMILES |
OCCN(Cc1coc2cccc(OCC3CCCCC3)c2c1=O)C(=O)NCCCc1ccccc1
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| InChI |
InChI=1S/C29H36N2O5/c32-18-17-31(29(34)30-16-8-13-22-9-3-1-4-10-22)19-24-21-36-26-15-7-14-25(27(26)28(24)33)35-20-23-11-5-2-6-12-23/h1,3-4,7,9-10,14-15,21,23,32H,2,5-6,8,11-13,16-20H2,(H,30,34)
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| InChIKey |
LHPJMYNVYPRSJR-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