General Information of the Compound
| Compound ID |
CP0458946
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| Compound Name |
5-[3-(2-methylphenyl)pyridin-4-yl]-N-propyl-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C18H19N3S
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| Molecular Weight |
309.438
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| Canonical SMILES |
CCCNc1ncc(s1)-c1ccncc1-c1ccccc1C
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| InChI |
InChI=1S/C18H19N3S/c1-3-9-20-18-21-12-17(22-18)15-8-10-19-11-16(15)14-7-5-4-6-13(14)2/h4-8,10-12H,3,9H2,1-2H3,(H,20,21)
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| InChIKey |
CBENURGLPWKCQB-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