General Information of the Compound
| Compound ID |
CP0575204
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| Compound Name |
diethyl (2R)-2-[[(2S)-2-[[2-[[(E)-3-(4-dodecanoyloxy-3-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]pentanedioate
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| Structure |
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| Formula |
C38H59N3O10
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| Molecular Weight |
717.901
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| Canonical SMILES |
CCCCCCCCCCCC(=O)Oc1ccc(\C=C\C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CCC(=O)OCC)C(=O)OCC)cc1OC
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| InChI |
InChI=1S/C38H59N3O10/c1-7-10-11-12-13-14-15-16-17-18-35(45)51-30-22-19-28(25-31(30)48-6)20-23-32(42)39-26-33(43)41-36(27(4)5)37(46)40-29(38(47)50-9-3)21-24-34(44)49-8-2/h19-20,22-23,25,27,29,36H,7-18,21,24,26H2,1-6H3,(H,39,42)(H,40,46)(H,41,43)/b23-20+/t29-,36+/m1/s1
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| InChIKey |
YAFWTCAZQZOENI-GKEICKALSA-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