General Information of the Compound
| Compound ID |
CP0969204
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| Compound Name |
(2S,4R)-1-((S)-17-(tert-Butyl)-1-(2-((2-(3,4-dichlorophenyl)acetamido)methyl)-4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenoxy)-15-oxo-3,6,9,12-tetraoxa-16-azaoctadecan-18-oyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)-pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C54H67Cl2N7O10S
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| Molecular Weight |
1077.142
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| Canonical SMILES |
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOc2cc(-c3cn4c(n3)CCC4)ccc2CNC(=O)Cc2ccc(Cl)c(Cl)c2)C(C)(C)C)cc1
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| InChI |
InChI=1S/C54H67Cl2N7O10S/c1-35-50(74-34-59-35)38-10-7-36(8-11-38)30-58-52(67)45-29-41(64)32-63(45)53(68)51(54(2,3)4)61-48(65)15-17-69-18-19-70-20-21-71-22-23-72-24-25-73-46-28-39(44-33-62-16-5-6-47(62)60-44)12-13-40(46)31-57-49(66)27-37-9-14-42(55)43(56)26-37/h7-14,26,28,33-34,41,45,51,64H,5-6,15-25,27,29-32H2,1-4H3,(H,57,66)(H,58,67)(H,61,65)/t41-,45+,51-/m1/s1
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| InChIKey |
RWXFCQJLEDTBMY-JSKJCRAUSA-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