General Information of the Compound
| Compound ID |
CP0380057
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| Compound Name |
2-[[(E)-4-oxo-4-phenylbut-2-en-2-yl]amino]-3-[4-[3-[4-[(E)-2-phenylethenyl]phenoxy]propoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C36H35NO5
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| Molecular Weight |
561.678
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| Canonical SMILES |
C\C(NC(Cc1ccc(OCCCOc2ccc(\C=C\c3ccccc3)cc2)cc1)C(O)=O)=C/C(=O)c1ccccc1
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| InChI |
InChI=1S/C36H35NO5/c1-27(25-35(38)31-11-6-3-7-12-31)37-34(36(39)40)26-30-17-21-33(22-18-30)42-24-8-23-41-32-19-15-29(16-20-32)14-13-28-9-4-2-5-10-28/h2-7,9-22,25,34,37H,8,23-24,26H2,1H3,(H,39,40)/b14-13+,27-25+
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| InChIKey |
CKEDRKQJRZQAFF-MIBBFHLLSA-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