General Information of the Compound
| Compound ID |
CP0409553
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| Compound Name |
(4S)-4-amino-5-[(2R,4R)-2-borono-4-hydroxypyrrolidin-1-yl]-5-oxopentanoic acid
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| Structure |
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| Formula |
C9H17BN2O6
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| Molecular Weight |
260.055
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| Canonical SMILES |
N[C@@H](CCC(O)=O)C(=O)N1C[C@H](O)C[C@H]1B(O)O
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| InChI |
InChI=1S/C9H17BN2O6/c11-6(1-2-8(14)15)9(16)12-4-5(13)3-7(12)10(17)18/h5-7,13,17-18H,1-4,11H2,(H,14,15)/t5-,6+,7+/m1/s1
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| InChIKey |
ZXZUNWVRSSPWJV-VQVTYTSYSA-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
Protein ID: PT00907, Dipeptidyl peptidase 4
Protein ID: PT00975, Dipeptidyl peptidase 8
Protein ID: PT01238, Dipeptidyl peptidase 9