General Information of the Compound
| Compound ID |
CP0356376
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| Compound Name |
2-[2-[hydroxy(phenyl)methyl]anilino]-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C30H31N3O4
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| Molecular Weight |
497.595
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| Canonical SMILES |
CN(CCOc1ccc(CC(Nc2ccccc2C(O)c2ccccc2)C(O)=O)cc1)c1ccccn1
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| InChI |
InChI=1S/C30H31N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,29,32,34H,19-21H2,1H3,(H,35,36)
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| InChIKey |
YQQOGGKMMZWNAV-UHFFFAOYSA-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