General Information of the Compound
| Compound ID |
CP0495243
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| Compound Name |
[(2R,4S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-4-hydroxypyrrolidin-2-yl]boronic acid
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| Structure |
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| Formula |
C10H22BN5O4
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| Molecular Weight |
287.129
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| Canonical SMILES |
N[C@@H](CCCN=C(N)N)C(=O)N1C[C@@H](O)C[C@H]1B(O)O
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| InChI |
InChI=1S/C10H22BN5O4/c12-7(2-1-3-15-10(13)14)9(18)16-5-6(17)4-8(16)11(19)20/h6-8,17,19-20H,1-5,12H2,(H4,13,14,15)/t6-,7-,8-/m0/s1
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| InChIKey |
MPJMFYXQDLKORA-FXQIFTODSA-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