General Information of the Compound
| Compound ID |
CP0970332
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| Compound Name |
(2S,4R)-1-((S)-23-(tert-Butyl)-1-(2-((2-(3,4-dichlorophenyl)acetamido)methyl)-4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenoxy)-21-oxo-3,6,9,12,15,18-hexaoxa-22-azatetracosan-24-oyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)-pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C58H75Cl2N7O12S
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| Molecular Weight |
1165.248
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| Canonical SMILES |
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOc2ccc(-c3cn4c(n3)CCC4)cc2CNC(=O)Cc2ccc(Cl)c(Cl)c2)C(C)(C)C)cc1
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| InChI |
InChI=1S/C58H75Cl2N7O12S/c1-39-54(80-38-63-39)42-10-7-40(8-11-42)34-62-56(71)49-33-45(68)36-67(49)57(72)55(58(2,3)4)65-52(69)15-17-73-18-19-74-20-21-75-22-23-76-24-25-77-26-27-78-28-29-79-50-14-12-43(48-37-66-16-5-6-51(66)64-48)32-44(50)35-61-53(70)31-41-9-13-46(59)47(60)30-41/h7-14,30,32,37-38,45,49,55,68H,5-6,15-29,31,33-36H2,1-4H3,(H,61,70)(H,62,71)(H,65,69)/t45-,49+,55-/m1/s1
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| InChIKey |
BKYWMROBTBIDEK-JVPKQGNTSA-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