General Information of the Compound
| Compound ID |
CP0037247
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| Compound Name |
3-[4-(3-amino-7-methoxy-1,2-benzoxazol-4-yl)phenyl]-1-(3-bromophenyl)urea
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| Structure |
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| Formula |
C21H17BrN4O3
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| Molecular Weight |
453.296
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| Canonical SMILES |
COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12
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| InChI |
InChI=1S/C21H17BrN4O3/c1-28-17-10-9-16(18-19(17)29-26-20(18)23)12-5-7-14(8-6-12)24-21(27)25-15-4-2-3-13(22)11-15/h2-11H,1H3,(H2,23,26)(H2,24,25,27)
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| InChIKey |
PUPCRRRSBUYJAD-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