General Information of the Compound
| Compound ID |
CP0458472
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| Compound Name |
diethyl (2R)-2-[[(2S)-3-phenyl-2-[[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]amino]propanoyl]amino]pentanedioate
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| Structure |
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| Formula |
C29H35N3O7
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| Molecular Weight |
537.613
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| Canonical SMILES |
CCOC(=O)CC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)\C=C\c1ccccc1)C(=O)OCC
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| InChI |
InChI=1S/C29H35N3O7/c1-3-38-27(35)18-16-23(29(37)39-4-2)32-28(36)24(19-22-13-9-6-10-14-22)31-26(34)20-30-25(33)17-15-21-11-7-5-8-12-21/h5-15,17,23-24H,3-4,16,18-20H2,1-2H3,(H,30,33)(H,31,34)(H,32,36)/b17-15+/t23-,24+/m1/s1
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| InChIKey |
OKYXNXUZXACLPI-VEDUZIRPSA-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