General Information of the Compound
| Compound ID |
CP0087631
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| Compound Name |
(E)-3-[2-[(E)-3-[4-[2-(2,4-dinitroanilino)ethoxy]-3-methoxyphenyl]prop-1-enyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C27H25N3O8
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| Molecular Weight |
519.51
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| Canonical SMILES |
COc1cc(C\C=C\c2ccccc2\C=C\C(O)=O)ccc1OCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
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| InChI |
InChI=1S/C27H25N3O8/c1-37-26-17-19(5-4-8-20-6-2-3-7-21(20)10-14-27(31)32)9-13-25(26)38-16-15-28-23-12-11-22(29(33)34)18-24(23)30(35)36/h2-4,6-14,17-18,28H,5,15-16H2,1H3,(H,31,32)/b8-4+,14-10+
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| InChIKey |
UUOCHUHUTLBSEF-QXAPVUDZSA-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