General Information of the Compound
| Compound ID |
CP0412167
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| Compound Name |
3-[4-[2-[4-[(E)-2-phenylethenyl]phenoxy]ethoxy]phenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
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| Structure |
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| Formula |
C34H31NO5
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| Molecular Weight |
533.624
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| Canonical SMILES |
OC(=O)C(Cc1ccc(OCCOc2ccc(\C=C\c3ccccc3)cc2)cc1)NC(=O)\C=C\c1ccccc1
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| InChI |
InChI=1S/C34H31NO5/c36-33(22-17-27-9-5-2-6-10-27)35-32(34(37)38)25-29-15-20-31(21-16-29)40-24-23-39-30-18-13-28(14-19-30)12-11-26-7-3-1-4-8-26/h1-22,32H,23-25H2,(H,35,36)(H,37,38)/b12-11+,22-17+
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| InChIKey |
MZQFEUCJXMACCJ-SDHXDSNUSA-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