General Information of the Compound
| Compound ID |
CP0867224
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| Compound Name |
benzyl N-[(3R)-1-[[(1R)-2-[(2S)-2-[4-[4-[4-(butanoylamino)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenyl-ethyl]carbamoyl]-3-piperidyl]carbamate
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| Structure |
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| Formula |
C45H49N7O5
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| Molecular Weight |
767.931
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| Canonical SMILES |
CCCC(=O)Nc1ccc(-c2ccc(-c3c[nH]c([C@@H]4CCCN4C(=O)[C@H](NC(=O)N4CCC[C@@H](NC(=O)OCc5ccccc5)C4)c4ccccc4)n3)cc2)cc1
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| InChI |
InChI=1S/C45H49N7O5/c1-2-11-40(53)47-36-24-22-33(23-25-36)32-18-20-34(21-19-32)38-28-46-42(49-38)39-17-10-27-52(39)43(54)41(35-14-7-4-8-15-35)50-44(55)51-26-9-16-37(29-51)48-45(56)57-30-31-12-5-3-6-13-31/h3-8,12-15,18-25,28,37,39,41H,2,9-11,16-17,26-27,29-30H2,1H3,(H,46,49)(H,47,53)(H,48,56)(H,50,55)/t37-,39+,41-/m1/s1
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| InChIKey |
FAWIYXYZBINAFF-SPNZFQGFSA-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