General Information of the Compound
| Compound ID |
CP0095094
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| Compound Name |
(4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
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| Synonyms |
(4r)-3-{(2s,3s)-2-Hydroxy-3-[(3-Hydroxy-2-Methylbenzoyl)amino]-4-Phenylbutanoyl}-5,5-Dimethyl-N-(2-Methylbenzyl)-1,3-Thiazolidine-4-Carboxamide
186538-00-1
1kzk
1msm
1msn
2anl
4-Thiazolidinecarboxamide, 3-((2S,3S)-2-hydroxy-3-((3-hydroxy-2-methylbenzoyl)amino)-1-oxo-4-phenylbutyl)-5,5-dimethyl-N-((2-methylphenyl)methyl)-, (4R)-
4-Thiazolidinecarboxamide, 3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-1-oxo-4-phenylbutyl]-5,5-dimethyl-N-[
AG 1776
AG1776
JE-2147
JE-2147, AG1776, KNI-764
JE2
KNI-764
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| Structure |
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| Formula |
C32H37N3O5S
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| Molecular Weight |
575.731
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| Canonical SMILES |
Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C
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| InChI |
InChI=1S/C32H37N3O5S/c1-20-11-8-9-14-23(20)18-33-30(39)28-32(3,4)41-19-35(28)31(40)27(37)25(17-22-12-6-5-7-13-22)34-29(38)24-15-10-16-26(36)21(24)2/h5-16,25,27-28,36-37H,17-19H2,1-4H3,(H,33,39)(H,34,38)/t25-,27-,28+/m0/s1
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| InChIKey |
CUFQBQOBLVLKRF-RZDMPUFOSA-N
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| CAS |
186538-00-1
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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
Clinical Information about the Compound