General Information of the Compound
| Compound ID |
CP0048979
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| Compound Name |
N-(3-tert-butylphenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide
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| Structure |
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| Formula |
C20H22N4OS
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| Molecular Weight |
366.49
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| Canonical SMILES |
CC(C)(C)c1cccc(NC(=O)c2nscc2NCc2ccncc2)c1
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| InChI |
InChI=1S/C20H22N4OS/c1-20(2,3)15-5-4-6-16(11-15)23-19(25)18-17(13-26-24-18)22-12-14-7-9-21-10-8-14/h4-11,13,22H,12H2,1-3H3,(H,23,25)
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| InChIKey |
ZMVIIRCGNJMLDL-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