General Information of the Compound
| Compound ID |
CP0409821
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| Compound Name |
5-[3-(2-chlorophenyl)pyridin-4-yl]-N-methyl-N-propyl-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C18H18ClN3S
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| Molecular Weight |
343.883
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| Canonical SMILES |
CCCN(C)c1ncc(s1)-c1ccncc1-c1ccccc1Cl
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| InChI |
InChI=1S/C18H18ClN3S/c1-3-10-22(2)18-21-12-17(23-18)14-8-9-20-11-15(14)13-6-4-5-7-16(13)19/h4-9,11-12H,3,10H2,1-2H3
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| InChIKey |
YRBUNFCKCGTYIM-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