General Information of the Compound
| Compound ID |
CP0527765
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| Compound Name |
(2S,3S,4S,5S)-3-tert-butyl-5-[(5-cyclobutyl-2-methoxypyridin-3-yl)methyl]-4-[(5-cyclobutyl-2-methoxypyridin-3-yl)methylamino]-1-[(2S)-oxane-2-carbonyl]pyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C37H52N4O6
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| Molecular Weight |
648.845
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| Canonical SMILES |
COc1ncc(cc1CN[C@@H]1[C@H](Cc2cc(cnc2OC)C2CCC2)N([C@@H]([C@H]1C(C)(C)C)C(O)=O)C(=O)[C@@H]1CCCCO1)C1CCC1
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| InChI |
InChI=1S/C37H52N4O6/c1-37(2,3)30-31(38-21-27-17-26(23-12-9-13-23)20-40-34(27)46-5)28(18-24-16-25(22-10-8-11-22)19-39-33(24)45-4)41(32(30)36(43)44)35(42)29-14-6-7-15-47-29/h16-17,19-20,22-23,28-32,38H,6-15,18,21H2,1-5H3,(H,43,44)/t28-,29-,30-,31+,32-/m0/s1
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| InChIKey |
YXFQXGHBPRXWJD-NRQMHRBESA-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