General Information of the Compound
| Compound ID |
CP0533337
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| Compound Name |
(4R)-3-[(2S,3S)-3-[[(2S)-2-(1-benzofuran-2-carbonylamino)-3-methylbutanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-[(2,6-dimethylphenyl)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
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| Structure |
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| Formula |
C39H46N4O6S
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| Molecular Weight |
698.886
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| Canonical SMILES |
CC(C)[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1c(C)cccc1C
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| InChI |
InChI=1S/C39H46N4O6S/c1-23(2)32(42-35(45)31-20-27-17-10-11-18-30(27)49-31)36(46)41-29(19-26-15-8-7-9-16-26)33(44)38(48)43-22-50-39(5,6)34(43)37(47)40-21-28-24(3)13-12-14-25(28)4/h7-18,20,23,29,32-34,44H,19,21-22H2,1-6H3,(H,40,47)(H,41,46)(H,42,45)/t29-,32-,33-,34+/m0/s1
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| InChIKey |
YEUDOBDFYPVYML-TUONYQKMSA-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