General Information of the Compound
| Compound ID |
CP0396905
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| Compound Name |
2-[[(E)-4-oxo-4-phenylbut-2-en-2-yl]amino]-3-[4-[2-(4-phenyldiazenylphenoxy)ethoxy]phenyl]propanoic acid
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| Formula |
C33H31N3O5
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| Molecular Weight |
549.627
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| Canonical SMILES |
C\C(NC(Cc1ccc(OCCOc2ccc(cc2)\N=N\c2ccccc2)cc1)C(O)=O)=C/C(=O)c1ccccc1
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| InChI |
InChI=1S/C33H31N3O5/c1-24(22-32(37)26-8-4-2-5-9-26)34-31(33(38)39)23-25-12-16-29(17-13-25)40-20-21-41-30-18-14-28(15-19-30)36-35-27-10-6-3-7-11-27/h2-19,22,31,34H,20-21,23H2,1H3,(H,38,39)/b24-22+,36-35+
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| InChIKey |
WKJKSKFBPGNRMY-ZUNIDJIGSA-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