General Information of the Compound
| Compound ID |
CP0579823
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| Compound Name |
4-[[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-thiazol-4-yl]methoxy]-N-methyl-2-(trifluoromethyl)anilino]methyl]benzoic acid
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| Structure |
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| Formula |
C29H23Cl2F3N2O3S
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| Molecular Weight |
607.481
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| Canonical SMILES |
CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(snc2-c2c(Cl)cccc2Cl)C2CC2)cc1C(F)(F)F
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| InChI |
InChI=1S/C29H23Cl2F3N2O3S/c1-36(14-16-5-7-18(8-6-16)28(37)38)24-12-11-19(13-21(24)29(32,33)34)39-15-20-26(35-40-27(20)17-9-10-17)25-22(30)3-2-4-23(25)31/h2-8,11-13,17H,9-10,14-15H2,1H3,(H,37,38)
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| InChIKey |
ISPJXOBPPVRGGK-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