General Information of the Compound
| Compound ID |
CP0478116
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| Compound Name |
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(pyrimidin-4-ylamino)benzamide
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| Structure |
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| Formula |
C20H14BrN5OS
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| Molecular Weight |
452.337
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| Canonical SMILES |
Brc1cccc(c1)-c1csc(NC(=O)c2ccc(Nc3ccncn3)cc2)n1
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| InChI |
InChI=1S/C20H14BrN5OS/c21-15-3-1-2-14(10-15)17-11-28-20(25-17)26-19(27)13-4-6-16(7-5-13)24-18-8-9-22-12-23-18/h1-12H,(H,22,23,24)(H,25,26,27)
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| InChIKey |
MSFUMXGUTZFLBS-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