General Information of the Compound
| Compound ID |
CP0407873
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| Compound Name |
1-[4-(3-bromoanilino)quinazolin-6-yl]-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea
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| Structure |
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| Formula |
C24H18BrN7O2S3
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| Molecular Weight |
612.56
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| Canonical SMILES |
Brc1cccc(Nc2ncnc3ccc(NC(=S)Nc4ccc(cc4)S(=O)(=O)Nc4nccs4)cc23)c1
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| InChI |
InChI=1S/C24H18BrN7O2S3/c25-15-2-1-3-17(12-15)29-22-20-13-18(6-9-21(20)27-14-28-22)31-23(35)30-16-4-7-19(8-5-16)37(33,34)32-24-26-10-11-36-24/h1-14H,(H,26,32)(H,27,28,29)(H2,30,31,35)
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| InChIKey |
AEZNBDUDPANFNW-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