General Information of the Compound
| Compound ID |
CP0427669
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| Compound Name |
2-[3-(3-bromophenyl)ureido]-4-chlorobenzoic acid ethyl ester
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| Structure |
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| Formula |
C15H12BrClN2O3
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| Molecular Weight |
383.629
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| Canonical SMILES |
COC(=O)c1ccc(Cl)cc1NC(=O)Nc1cccc(Br)c1
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| InChI |
InChI=1S/C15H12BrClN2O3/c1-22-14(20)12-6-5-10(17)8-13(12)19-15(21)18-11-4-2-3-9(16)7-11/h2-8H,1H3,(H2,18,19,21)
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| InChIKey |
UVSNUAIJNZDNLC-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