General Information of the Compound
| Compound ID |
CP0478515
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| Compound Name |
(2S)-2-(1-benzofuran-2-carbonylamino)-N-[(2S,3S)-4-[(4R)-4-[(2,6-dimethylphenyl)methylcarbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]butanediamide
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| Structure |
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| Formula |
C38H43N5O7S
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| Molecular Weight |
713.857
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| Canonical SMILES |
Cc1cccc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1cc2ccccc2o1
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| InChI |
InChI=1S/C38H43N5O7S/c1-22-11-10-12-23(2)26(22)20-40-36(48)33-38(3,4)51-21-43(33)37(49)32(45)27(17-24-13-6-5-7-14-24)41-34(46)28(19-31(39)44)42-35(47)30-18-25-15-8-9-16-29(25)50-30/h5-16,18,27-28,32-33,45H,17,19-21H2,1-4H3,(H2,39,44)(H,40,48)(H,41,46)(H,42,47)/t27-,28-,32-,33+/m0/s1
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| InChIKey |
CJJGXUSHMBZXPU-LCAOSWTRSA-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