General Information of the Compound
| Compound ID |
CP0964570
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| Compound Name |
(2S,4R)-1-((S)-20-(tert-Butyl)-1-(2-((2-(3,4-dichlorophenyl)acetamido)methyl)-4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenoxy)-18-oxo-3,6,9,12,15-pentaoxa-19-azahenicosan-21-oyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)-pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C56H71Cl2N7O11S
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| Molecular Weight |
1121.195
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| Canonical SMILES |
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOc2ccc(-c3cn4c(n3)CCC4)cc2CNC(=O)Cc2ccc(Cl)c(Cl)c2)C(C)(C)C)cc1
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| InChI |
InChI=1S/C56H71Cl2N7O11S/c1-37-52(77-36-61-37)40-10-7-38(8-11-40)32-60-54(69)47-31-43(66)34-65(47)55(70)53(56(2,3)4)63-50(67)15-17-71-18-19-72-20-21-73-22-23-74-24-25-75-26-27-76-48-14-12-41(46-35-64-16-5-6-49(64)62-46)30-42(48)33-59-51(68)29-39-9-13-44(57)45(58)28-39/h7-14,28,30,35-36,43,47,53,66H,5-6,15-27,29,31-34H2,1-4H3,(H,59,68)(H,60,69)(H,63,67)/t43-,47+,53-/m1/s1
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| InChIKey |
BWKMAVVUNCRRQL-LGIBPJQYSA-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