General Information of the Compound
| Compound ID |
CP0142584
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| Compound Name |
1-(3-chloro-4-methoxyphenyl)-3-(3,4-dihydro-2H-chromen-3-yl)urea
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| Structure |
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| Formula |
C17H17ClN2O3
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| Molecular Weight |
332.787
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| Canonical SMILES |
COc1ccc(NC(=O)NC2COc3ccccc3C2)cc1Cl
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| InChI |
InChI=1S/C17H17ClN2O3/c1-22-16-7-6-12(9-14(16)18)19-17(21)20-13-8-11-4-2-3-5-15(11)23-10-13/h2-7,9,13H,8,10H2,1H3,(H2,19,20,21)
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| InChIKey |
OJDCEMLPRAHHEV-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