General Information of the Compound
| Compound ID |
CP0562925
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| Compound Name |
(E)-3-[4-[(E)-2-(2-cyanophenyl)-1-(1H-indol-2-yl)but-1-enyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C28H22N2O2
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| Molecular Weight |
418.496
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| Canonical SMILES |
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1C#N
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| InChI |
InChI=1S/C28H22N2O2/c1-2-23(24-9-5-3-8-22(24)18-29)28(26-17-21-7-4-6-10-25(21)30-26)20-14-11-19(12-15-20)13-16-27(31)32/h3-17,30H,2H2,1H3,(H,31,32)/b16-13+,28-23+
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| InChIKey |
QALHICXPUWAZPC-OSLVRNTLSA-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