General Information of the Compound
| Compound ID |
CP0550610
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| Compound Name |
(E)-3-[4-[(E)-1-(1H-indol-2-yl)-2-(2-methylphenyl)but-1-enyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C28H25NO2
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| Molecular Weight |
407.513
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| Canonical SMILES |
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1C
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| InChI |
InChI=1S/C28H25NO2/c1-3-23(24-10-6-4-8-19(24)2)28(26-18-22-9-5-7-11-25(22)29-26)21-15-12-20(13-16-21)14-17-27(30)31/h4-18,29H,3H2,1-2H3,(H,30,31)/b17-14+,28-23+
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| InChIKey |
HVIRWZASCPFCPM-JCADPENRSA-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