General Information of the Compound
| Compound ID |
CP0087848
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| Compound Name |
benzyl (2S,4S)-2-(pyrrolidine-1-carbonyl)-4-(4-trimethylsilyltriazol-1-yl)pyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C22H31N5O3Si
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| Molecular Weight |
441.608
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| Canonical SMILES |
C[Si](C)(C)c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N1CCCC1
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| InChI |
InChI=1S/C22H31N5O3Si/c1-31(2,3)20-15-27(24-23-20)18-13-19(21(28)25-11-7-8-12-25)26(14-18)22(29)30-16-17-9-5-4-6-10-17/h4-6,9-10,15,18-19H,7-8,11-14,16H2,1-3H3/t18-,19-/m0/s1
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| InChIKey |
AMUXFUKEWVWFMP-OALUTQOASA-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