General Information of the Compound
| Compound ID |
CP0266683
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| Compound Name |
benzyl (2S,4S)-4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]triazol-1-yl]-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C25H34N6O5
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| Molecular Weight |
498.584
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| Canonical SMILES |
CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N1CCCC1
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| InChI |
InChI=1S/C25H34N6O5/c1-25(2,3)36-23(33)26-14-19-15-31(28-27-19)20-13-21(22(32)29-11-7-8-12-29)30(16-20)24(34)35-17-18-9-5-4-6-10-18/h4-6,9-10,15,20-21H,7-8,11-14,16-17H2,1-3H3,(H,26,33)/t20-,21-/m0/s1
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| InChIKey |
LWHMUBUYHQTDMK-SFTDATJTSA-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