General Information of the Compound
| Compound ID |
CP0579575
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| Compound Name |
5-[[[6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-thiazol-4-yl]methoxy]-2-(trifluoromethyl)pyridin-3-yl]-methylamino]methyl]thiophene-2-carboxylic acid
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| Structure |
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| Formula |
C26H22Cl2F3N3O3S2
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| Molecular Weight |
616.514
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| Canonical SMILES |
CC(C)c1snc(c1COc1ccc(N(C)Cc2ccc(s2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C26H22Cl2F3N3O3S2/c1-13(2)23-15(22(33-39-23)21-16(27)5-4-6-17(21)28)12-37-20-10-8-18(24(32-20)26(29,30)31)34(3)11-14-7-9-19(38-14)25(35)36/h4-10,13H,11-12H2,1-3H3,(H,35,36)
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| InChIKey |
LRMVCMUMKLZSTO-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