General Information of the Compound
| Compound ID |
CP0579946
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| Compound Name |
3-[[[6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-thiazol-4-yl]methoxy]-2-(trifluoromethyl)pyridin-3-yl]-methylamino]methyl]cyclohexane-1-carboxylic acid
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| Structure |
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| Formula |
C28H30Cl2F3N3O3S
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| Molecular Weight |
616.533
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| Canonical SMILES |
CC(C)c1snc(c1COc1ccc(N(C)CC2CCCC(C2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C28H30Cl2F3N3O3S/c1-15(2)25-18(24(35-40-25)23-19(29)8-5-9-20(23)30)14-39-22-11-10-21(26(34-22)28(31,32)33)36(3)13-16-6-4-7-17(12-16)27(37)38/h5,8-11,15-17H,4,6-7,12-14H2,1-3H3,(H,37,38)
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| InChIKey |
KDHFBDPQJIGLBJ-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