General Information of the Compound
| Compound ID |
CP0037342
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| Compound Name |
N-(3-bromophenyl)-4-(quinolin-2-ylmethylamino)-1,2-thiazole-3-carboxamide
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| Structure |
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| Formula |
C20H15BrN4OS
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| Molecular Weight |
439.338
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| Canonical SMILES |
Brc1cccc(NC(=O)c2nscc2NCc2ccc3ccccc3n2)c1
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| InChI |
InChI=1S/C20H15BrN4OS/c21-14-5-3-6-15(10-14)24-20(26)19-18(12-27-25-19)22-11-16-9-8-13-4-1-2-7-17(13)23-16/h1-10,12,22H,11H2,(H,24,26)
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| InChIKey |
HDMVKFBSOGSVEF-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