General Information of the Compound
| Compound ID |
CP0095430
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| Compound Name |
3-[(E)-2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yltriazol-4-yl]methoxy]phenyl]ethenyl]benzoic acid
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| Structure |
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| Formula |
C27H22Cl3N3O3
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| Molecular Weight |
542.85
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| Canonical SMILES |
CC(C)c1nnn(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C27H22Cl3N3O3/c1-16(2)25-24(33(32-31-25)26-21(28)7-4-8-22(26)29)15-36-20-12-11-18(23(30)14-20)10-9-17-5-3-6-19(13-17)27(34)35/h3-14,16H,15H2,1-2H3,(H,34,35)/b10-9+
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| InChIKey |
DZHZHOIEJIGTPF-MDZDMXLPSA-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