General Information of the Compound
| Compound ID |
CP0087258
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| Compound Name |
ethyl 2-[(1S)-2-methyl-1-[[2-[(1S)-2-methyl-1-[[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carbonyl]amino]propyl]-1,3-thiazole-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxylate
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| Structure |
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| Formula |
C31H44N6O6S3
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| Molecular Weight |
692.93
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| Canonical SMILES |
CCOC(=O)c1csc(n1)[C@@H](NC(=O)c1csc(n1)[C@@H](NC(=O)c1csc(n1)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C
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| InChI |
InChI=1S/C31H44N6O6S3/c1-11-42-29(40)20-14-46-27(34-20)22(16(4)5)36-24(38)18-12-44-26(32-18)21(15(2)3)35-25(39)19-13-45-28(33-19)23(17(6)7)37-30(41)43-31(8,9)10/h12-17,21-23H,11H2,1-10H3,(H,35,39)(H,36,38)(H,37,41)/t21-,22-,23-/m0/s1
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| InChIKey |
CHRNOULDYAIFGT-VABKMULXSA-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