General Information of the Compound
| Compound ID |
CP0402072
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| Compound Name |
3-[2,4-dichloro-3-[2-(5-chlorofuran-2-yl)-5-methyl-4-[1-(trifluoromethyl)cyclopropyl]imidazol-1-yl]anilino]-2,2-dimethylpropanoic acid
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| Structure |
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| Formula |
C23H21Cl3F3N3O3
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| Molecular Weight |
550.792
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| Canonical SMILES |
Cc1c(nc(-c2ccc(Cl)o2)n1-c1c(Cl)ccc(NCC(C)(C)C(O)=O)c1Cl)C1(CC1)C(F)(F)F
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| InChI |
InChI=1S/C23H21Cl3F3N3O3/c1-11-18(22(8-9-22)23(27,28)29)31-19(14-6-7-15(25)35-14)32(11)17-12(24)4-5-13(16(17)26)30-10-21(2,3)20(33)34/h4-7,30H,8-10H2,1-3H3,(H,33,34)
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| InChIKey |
GMUBBGHCRSLTDM-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