General Information of the Compound
| Compound ID |
CP0471663
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| Compound Name |
5-[2-(2-chlorophenyl)pyridin-3-yl]-N-propyl-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C17H16ClN3S
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| Molecular Weight |
329.856
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| Canonical SMILES |
CCCNc1ncc(s1)-c1cccnc1-c1ccccc1Cl
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| InChI |
InChI=1S/C17H16ClN3S/c1-2-9-20-17-21-11-15(22-17)13-7-5-10-19-16(13)12-6-3-4-8-14(12)18/h3-8,10-11H,2,9H2,1H3,(H,20,21)
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| InChIKey |
HTCIIKOJVILAAH-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