General Information of the Compound
| Compound ID |
CP0180018
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| Compound Name |
ethyl (E)-4-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]but-2-enoate
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| Structure |
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| Formula |
C23H26N2O5
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| Molecular Weight |
410.47
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| Canonical SMILES |
CCOC(=O)\C=C\CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
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| InChI |
InChI=1S/C23H26N2O5/c1-2-29-21(26)14-9-15-24-22(27)20(16-18-10-5-3-6-11-18)25-23(28)30-17-19-12-7-4-8-13-19/h3-14,20H,2,15-17H2,1H3,(H,24,27)(H,25,28)/b14-9+/t20-/m0/s1
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| InChIKey |
YJAMYIMDDMCOHO-PCLFDXGNSA-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