General Information of the Compound
| Compound ID |
CP0381612
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| Compound Name |
4-(4-tert-butylphenyl)-N-(naphthalen-1-yl)thiazol-2-amine
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| Structure |
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| Formula |
C23H22N2S
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| Molecular Weight |
358.51
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1csc(Nc2cccc3ccccc23)n1
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| InChI |
InChI=1S/C23H22N2S/c1-23(2,3)18-13-11-17(12-14-18)21-15-26-22(25-21)24-20-10-6-8-16-7-4-5-9-19(16)20/h4-15H,1-3H3,(H,24,25)
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| InChIKey |
RWAKVVGBTSWTSC-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