General Information of the Compound
| Compound ID |
CP0201413
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| Compound Name |
3-[(2-{2-[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]ethyl}-1,3-benzoxazol-7-yl)amino]benzoic acid
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| Structure |
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| Formula |
C28H23Cl2N3O4
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| Molecular Weight |
536.415
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| Canonical SMILES |
CC(C)c1onc(c1CCc1nc2cccc(Nc3cccc(c3)C(O)=O)c2o1)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C28H23Cl2N3O4/c1-15(2)26-18(25(33-37-26)24-19(29)8-4-9-20(24)30)12-13-23-32-22-11-5-10-21(27(22)36-23)31-17-7-3-6-16(14-17)28(34)35/h3-11,14-15,31H,12-13H2,1-2H3,(H,34,35)
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| InChIKey |
NIJIXTNBQUWRSU-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