General Information of the Compound
| Compound ID |
CP0159133
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| Compound Name |
N-benzyl-2-(1-benzyltriazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C21H19N5OS
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| Molecular Weight |
389.484
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| Canonical SMILES |
Cc1nc(sc1C(=O)NCc1ccccc1)-c1cn(Cc2ccccc2)nn1
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| InChI |
InChI=1S/C21H19N5OS/c1-15-19(20(27)22-12-16-8-4-2-5-9-16)28-21(23-15)18-14-26(25-24-18)13-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,22,27)
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| InChIKey |
FNRATZPGWXUVAU-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