General Information of the Compound
| Compound ID |
CP0380059
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| Compound Name |
3-[4-[2-[4-[(4-chlorophenyl)diazenyl]phenoxy]ethoxy]phenyl]-2-[[(E)-4-oxo-4-phenylbut-2-en-2-yl]amino]propanoic acid
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| Formula |
C33H30ClN3O5
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| Molecular Weight |
584.072
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| Canonical SMILES |
C\C(NC(Cc1ccc(OCCOc2ccc(cc2)\N=N\c2ccc(Cl)cc2)cc1)C(O)=O)=C/C(=O)c1ccccc1
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| InChI |
InChI=1S/C33H30ClN3O5/c1-23(21-32(38)25-5-3-2-4-6-25)35-31(33(39)40)22-24-7-15-29(16-8-24)41-19-20-42-30-17-13-28(14-18-30)37-36-27-11-9-26(34)10-12-27/h2-18,21,31,35H,19-20,22H2,1H3,(H,39,40)/b23-21+,37-36+
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| InChIKey |
OVZLYMORBGOYBX-NMBMJBOLSA-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