General Information of the Compound
| Compound ID |
CP0534717
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| Compound Name |
(E)-3-[4-[(E)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C29H26N2O2
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| Molecular Weight |
434.539
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| Canonical SMILES |
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1)-c1cnn(C)c1)c1ccccc1
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| InChI |
InChI=1S/C29H26N2O2/c1-3-27(23-7-5-4-6-8-23)29(24-12-9-21(10-13-24)11-18-28(32)33)25-16-14-22(15-17-25)26-19-30-31(2)20-26/h4-20H,3H2,1-2H3,(H,32,33)/b18-11+,29-27+
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| InChIKey |
GRUHCIMMJIKBLQ-KUJLGXCKSA-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