General Information of the Compound
| Compound ID |
CP0400977
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| Compound Name |
3-{3-[(Benzyl-ethoxycarbonylmethyl-amino)-methyl]-5-carbamoyl-phenyl}-acrylic acid ethyl ester
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| Structure |
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| Formula |
C24H28N2O5
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| Molecular Weight |
424.497
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| Canonical SMILES |
CCOC(=O)CN(Cc1ccccc1)Cc1cc(\C=C\C(=O)OCC)cc(c1)C(N)=O
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| InChI |
InChI=1S/C24H28N2O5/c1-3-30-22(27)11-10-19-12-20(14-21(13-19)24(25)29)16-26(17-23(28)31-4-2)15-18-8-6-5-7-9-18/h5-14H,3-4,15-17H2,1-2H3,(H2,25,29)/b11-10+
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| InChIKey |
BWJUYOKJHKEVGO-ZHACJKMWSA-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