General Information of the Compound
| Compound ID |
CP0507078
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| Compound Name |
1-[4-(3-bromoanilino)quinazolin-6-yl]-3-(4-sulfamoylphenyl)thiourea
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| Structure |
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| Formula |
C21H17BrN6O2S2
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| Molecular Weight |
529.445
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| Canonical SMILES |
NS(=O)(=O)c1ccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1
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| InChI |
InChI=1S/C21H17BrN6O2S2/c22-13-2-1-3-15(10-13)26-20-18-11-16(6-9-19(18)24-12-25-20)28-21(31)27-14-4-7-17(8-5-14)32(23,29)30/h1-12H,(H2,23,29,30)(H,24,25,26)(H2,27,28,31)
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| InChIKey |
OFQXUBZKUZBPCS-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