General Information of the Compound
| Compound ID |
CP0099440
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| Compound Name |
(R)-1-((S)-2-amino-3-methylbutanamido)ethylboronic acid
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| Structure |
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| Formula |
C7H17BN2O3
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| Molecular Weight |
188.036
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| Canonical SMILES |
CC(C)[C@H](N)C(=O)N[C@@H](C)B(O)O
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| InChI |
InChI=1S/C7H17BN2O3/c1-4(2)6(9)7(11)10-5(3)8(12)13/h4-6,12-13H,9H2,1-3H3,(H,10,11)/t5-,6-/m0/s1
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| InChIKey |
SHQGMGKBRGBIGM-WDSKDSINSA-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