General Information of the Compound
| Compound ID |
CP0544347
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| Compound Name |
diethyl (2R)-2-[[(2S)-3-hydroxy-2-[[2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]propanoyl]amino]pentanedioate
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| Structure |
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| Formula |
C24H33N3O10
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| Molecular Weight |
523.539
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| Canonical SMILES |
CCOC(=O)CC[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)\C=C\c1ccc(O)c(OC)c1)C(=O)OCC
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| InChI |
InChI=1S/C24H33N3O10/c1-4-36-22(32)11-8-16(24(34)37-5-2)27-23(33)17(14-28)26-21(31)13-25-20(30)10-7-15-6-9-18(29)19(12-15)35-3/h6-7,9-10,12,16-17,28-29H,4-5,8,11,13-14H2,1-3H3,(H,25,30)(H,26,31)(H,27,33)/b10-7+/t16-,17+/m1/s1
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| InChIKey |
HSSUEIDPXVXASN-CFMJQPPZSA-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