General Information of the Compound
| Compound ID |
CP0968008
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| Compound Name |
(2S,4R)-1-((S)-26-(tert-Butyl)-1-(2-((2-(3,4-dichlorophenyl)acetamido)methyl)-4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenoxy)-24-oxo-3,6,9,12,15,18,21-heptaoxa-25-azaheptacosan-27-oyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)-benzyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C60H79Cl2N7O13S
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| Molecular Weight |
1209.301
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| Canonical SMILES |
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOc2ccc(-c3cn4c(n3)CCC4)cc2CNC(=O)Cc2ccc(Cl)c(Cl)c2)C(C)(C)C)cc1
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| InChI |
InChI=1S/C60H79Cl2N7O13S/c1-41-56(83-40-65-41)44-10-7-42(8-11-44)36-64-58(73)51-35-47(70)38-69(51)59(74)57(60(2,3)4)67-54(71)15-17-75-18-19-76-20-21-77-22-23-78-24-25-79-26-27-80-28-29-81-30-31-82-52-14-12-45(50-39-68-16-5-6-53(68)66-50)34-46(52)37-63-55(72)33-43-9-13-48(61)49(62)32-43/h7-14,32,34,39-40,47,51,57,70H,5-6,15-31,33,35-38H2,1-4H3,(H,63,72)(H,64,73)(H,67,71)/t47-,51+,57-/m1/s1
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| InChIKey |
CUEHDGXRMAWGBL-NSONYEDRSA-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