General Information of the Compound
| Compound ID |
CP0564600
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| Compound Name |
diethyl (2R)-2-[[(2S)-2-[[2-[3-(4-hydroxy-3-methoxyphenyl)propanoylamino]acetyl]amino]-3-methylbutanoyl]amino]pentanedioate
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| Structure |
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| Formula |
C26H39N3O9
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| Molecular Weight |
537.61
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| Canonical SMILES |
CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CCc1ccc(O)c(OC)c1)C(C)C)C(=O)OCC
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| InChI |
InChI=1S/C26H39N3O9/c1-6-37-23(33)13-10-18(26(35)38-7-2)28-25(34)24(16(3)4)29-22(32)15-27-21(31)12-9-17-8-11-19(30)20(14-17)36-5/h8,11,14,16,18,24,30H,6-7,9-10,12-13,15H2,1-5H3,(H,27,31)(H,28,34)(H,29,32)/t18-,24+/m1/s1
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| InChIKey |
BBSYLOYGCGHZBH-KOSHJBKYSA-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