General Information of the Compound
| Compound ID |
CP0405459
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| Compound Name |
3-[(E)-2-(4-{[5-tert-butyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy}-2-chlorophenyl)ethenyl]benzoic acid
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| Structure |
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| Formula |
C29H24Cl3NO4
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| Molecular Weight |
556.873
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| Canonical SMILES |
CC(C)(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C29H24Cl3NO4/c1-29(2,3)27-21(26(33-37-27)25-22(30)8-5-9-23(25)31)16-36-20-13-12-18(24(32)15-20)11-10-17-6-4-7-19(14-17)28(34)35/h4-15H,16H2,1-3H3,(H,34,35)/b11-10+
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| InChIKey |
IFMOAZDMPOYCDF-ZHACJKMWSA-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