General Information of the Compound
| Compound ID |
CP0970175
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| Compound Name |
(2S,4R)-1-((S)-14-(tert-Butyl)-1-(2-((2-(3,4-dichlorophenyl)acetamido)methyl)-4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenoxy)-12-oxo-3,6,9-trioxa-13-azapentadecan-15-oyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C52H63Cl2N7O9S
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| Molecular Weight |
1033.089
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| Canonical SMILES |
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCOc2ccc(-c3cn4c(n3)CCC4)cc2CNC(=O)Cc2ccc(Cl)c(Cl)c2)C(C)(C)C)cc1
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| InChI |
InChI=1S/C52H63Cl2N7O9S/c1-33-48(71-32-57-33)36-10-7-34(8-11-36)28-56-50(65)43-27-39(62)30-61(43)51(66)49(52(2,3)4)59-46(63)15-17-67-18-19-68-20-21-69-22-23-70-44-14-12-37(42-31-60-16-5-6-45(60)58-42)26-38(44)29-55-47(64)25-35-9-13-40(53)41(54)24-35/h7-14,24,26,31-32,39,43,49,62H,5-6,15-23,25,27-30H2,1-4H3,(H,55,64)(H,56,65)(H,59,63)/t39-,43+,49-/m1/s1
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| InChIKey |
LDNZZSMPSRDFMJ-SHTJZPIOSA-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