General Information of the Compound
| Compound ID |
CP0964568
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| Compound Name |
(2S,4R)-1-((S)-2-(3-(2-(2-((2-(3,4-Dichlorophenyl)-acetamido)methyl)-4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-phenoxy)ethoxy)propanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C48H55Cl2N7O7S
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| Molecular Weight |
944.983
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| Canonical SMILES |
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOc2ccc(-c3cn4c(n3)CCC4)cc2CNC(=O)Cc2ccc(Cl)c(Cl)c2)C(C)(C)C)cc1
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| InChI |
InChI=1S/C48H55Cl2N7O7S/c1-29-44(65-28-53-29)32-10-7-30(8-11-32)24-52-46(61)39-23-35(58)26-57(39)47(62)45(48(2,3)4)55-42(59)15-17-63-18-19-64-40-14-12-33(38-27-56-16-5-6-41(56)54-38)22-34(40)25-51-43(60)21-31-9-13-36(49)37(50)20-31/h7-14,20,22,27-28,35,39,45,58H,5-6,15-19,21,23-26H2,1-4H3,(H,51,60)(H,52,61)(H,55,59)/t35-,39+,45-/m1/s1
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| InChIKey |
HXWVYVXJBYTQQT-TZEXNLEWSA-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