General Information of the Compound
| Compound ID |
CP0035664
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| Compound Name |
4-((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)-2-methylpyridin-3-yl)(methyl)carbamoyl)benzoic acid
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| Structure |
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| Formula |
C28H25Cl2N3O5
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| Molecular Weight |
554.43
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(N(C)C(=O)c2ccc(cc2)C(O)=O)c(C)n1)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C28H25Cl2N3O5/c1-15(2)26-19(25(32-38-26)24-20(29)6-5-7-21(24)30)14-37-23-13-12-22(16(3)31-23)33(4)27(34)17-8-10-18(11-9-17)28(35)36/h5-13,15H,14H2,1-4H3,(H,35,36)
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| InChIKey |
YSVUBTXWBYBSPV-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