General Information of the Compound
| Compound ID |
CP0413290
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| Compound Name |
[(2R,4S)-1-[(2S)-2-aminopropanoyl]-4-chloropyrrolidin-2-yl]boronic acid
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| Structure |
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| Formula |
C7H14BClN2O3
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| Molecular Weight |
220.465
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| Canonical SMILES |
C[C@H](N)C(=O)N1C[C@@H](Cl)C[C@H]1B(O)O
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| InChI |
InChI=1S/C7H14BClN2O3/c1-4(10)7(12)11-3-5(9)2-6(11)8(13)14/h4-6,13-14H,2-3,10H2,1H3/t4-,5-,6-/m0/s1
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| InChIKey |
HPESIFUOBXUHNB-ZLUOBGJFSA-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