General Information of the Compound
| Compound ID |
CP0488463
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| Compound Name |
diethyl (2R)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]butanoyl]amino]pentanedioate
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| Structure |
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| Formula |
C25H35N3O10
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| Molecular Weight |
537.566
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| Canonical SMILES |
CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)\C=C\c1ccc(O)c(OC)c1)[C@@H](C)O)C(=O)OCC
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| InChI |
InChI=1S/C25H35N3O10/c1-5-37-22(33)12-9-17(25(35)38-6-2)27-24(34)23(15(3)29)28-21(32)14-26-20(31)11-8-16-7-10-18(30)19(13-16)36-4/h7-8,10-11,13,15,17,23,29-30H,5-6,9,12,14H2,1-4H3,(H,26,31)(H,27,34)(H,28,32)/b11-8+/t15-,17-,23+/m1/s1
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| InChIKey |
YZHWCNAARSDWKS-ANKZKROLSA-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