General Information of the Compound
| Compound ID |
CP0485589
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| Compound Name |
5-[[propyl(pyridin-3-ylmethyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C20H18Cl3F3N4S
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| Molecular Weight |
509.812
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| Canonical SMILES |
CCCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1cccnc1
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| InChI |
InChI=1S/C20H18Cl3F3N4S/c1-2-6-30(10-12-4-3-5-27-9-12)11-16-18(20(24,25)26)29-19(31-16)28-17-14(22)7-13(21)8-15(17)23/h3-5,7-9H,2,6,10-11H2,1H3,(H,28,29)
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| InChIKey |
MWTUFHJHKFRMOE-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