General Information of the Compound
| Compound ID |
CP0543602
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| Compound Name |
3-[[4-[(E)-N-[[4-(2-methoxyphenyl)phenyl]methoxy]-C-methylcarbonimidoyl]phenyl]methylamino]propanoic acid
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| Structure |
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| Formula |
C26H28N2O4
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| Molecular Weight |
432.52
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| Canonical SMILES |
COc1ccccc1-c1ccc(CO\N=C(/C)c2ccc(CNCCC(O)=O)cc2)cc1
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| InChI |
InChI=1S/C26H28N2O4/c1-19(22-11-7-20(8-12-22)17-27-16-15-26(29)30)28-32-18-21-9-13-23(14-10-21)24-5-3-4-6-25(24)31-2/h3-14,27H,15-18H2,1-2H3,(H,29,30)/b28-19+
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| InChIKey |
SIDACDQRTCKJHH-TURZUDJPSA-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