General Information of the Compound
| Compound ID |
CP0194602
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| Compound Name |
4-((1-(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)ethyl)(methyl)amino)benzoic acid
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| Structure |
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| Formula |
C29H24Cl2F3N3O4
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| Molecular Weight |
606.428
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| Canonical SMILES |
CC(N(C)c1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
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| InChI |
InChI=1S/C29H24Cl2F3N3O4/c1-15(37(2)18-10-8-17(9-11-18)28(38)39)19-12-13-23(35-27(19)29(32,33)34)40-14-20-25(36-41-26(20)16-6-7-16)24-21(30)4-3-5-22(24)31/h3-5,8-13,15-16H,6-7,14H2,1-2H3,(H,38,39)
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| InChIKey |
XECAIRKHDZJLEJ-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