General Information of the Compound
| Compound ID |
CP0048987
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| Compound Name |
N-(2-bromophenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide
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| Structure |
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| Formula |
C16H13BrN4OS
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| Molecular Weight |
389.278
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| Canonical SMILES |
Brc1ccccc1NC(=O)c1nscc1NCc1ccncc1
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| InChI |
InChI=1S/C16H13BrN4OS/c17-12-3-1-2-4-13(12)20-16(22)15-14(10-23-21-15)19-9-11-5-7-18-8-6-11/h1-8,10,19H,9H2,(H,20,22)
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| InChIKey |
YOAZXLNLYUIPOO-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