General Information of the Compound
| Compound ID |
CP0477374
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| Compound Name |
(E)-3-[4-[(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C30H32N2O2
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| Molecular Weight |
452.598
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| Canonical SMILES |
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1)N1CCN(C)CC1)c1ccccc1
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| InChI |
InChI=1S/C30H32N2O2/c1-3-28(24-7-5-4-6-8-24)30(25-12-9-23(10-13-25)11-18-29(33)34)26-14-16-27(17-15-26)32-21-19-31(2)20-22-32/h4-18H,3,19-22H2,1-2H3,(H,33,34)/b18-11+,30-28+
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| InChIKey |
BYIANWPUWHSHKX-FUACZAOHSA-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