General Information of the Compound
| Compound ID |
CP0501749
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| Compound Name |
2-{5-[(1S)-1-(2-amino-2-methylpropanamido)-2-(benzyloxy)ethyl]-1H-1,2,3,4-tetrazol-1-yl}ethyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C22H33N7O5
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| Molecular Weight |
475.55
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)N1CCC(C)(O)C1
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| InChI |
InChI=1S/C22H33N7O5/c1-21(2,23)19(30)24-17(14-33-13-16-7-5-4-6-8-16)18-25-26-27-29(18)11-12-34-20(31)28-10-9-22(3,32)15-28/h4-8,17,32H,9-15,23H2,1-3H3,(H,24,30)/t17-,22?/m1/s1
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| InChIKey |
JMCRWYGWYWGCKU-PLEWWHCXSA-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