General Information of the Compound
| Compound ID |
CP0562938
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| Compound Name |
ethyl 4-[4-hydroxy-3-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-2H-pyrrol-1-yl]benzoate
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| Structure |
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| Formula |
C27H25NO5
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| Molecular Weight |
443.499
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| Canonical SMILES |
CCOC(=O)c1ccc(cc1)N1C(C(Cc2ccc(OC)cc2)=C(O)C1=O)c1ccccc1
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| InChI |
InChI=1S/C27H25NO5/c1-3-33-27(31)20-11-13-21(14-12-20)28-24(19-7-5-4-6-8-19)23(25(29)26(28)30)17-18-9-15-22(32-2)16-10-18/h4-16,24,29H,3,17H2,1-2H3
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| InChIKey |
JKCASUHOLPRBQR-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