General Information of the Compound
| Compound ID |
CP0544183
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| Compound Name |
diethyl (2R)-2-[[(2S)-3-methyl-2-[[2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]acetyl]amino]butanoyl]amino]pentanedioate
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| Structure |
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| Formula |
C25H34N4O9
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| Molecular Weight |
534.566
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| Canonical SMILES |
CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)\C=C\c1cccc(c1)[N+]([O-])=O)C(C)C)C(=O)OCC
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| InChI |
InChI=1S/C25H34N4O9/c1-5-37-22(32)13-11-19(25(34)38-6-2)27-24(33)23(16(3)4)28-21(31)15-26-20(30)12-10-17-8-7-9-18(14-17)29(35)36/h7-10,12,14,16,19,23H,5-6,11,13,15H2,1-4H3,(H,26,30)(H,27,33)(H,28,31)/b12-10+/t19-,23+/m1/s1
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| InChIKey |
CCLWYLXIFKFKRH-XSIWJGCBSA-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