General Information of the Compound
| Compound ID |
CP0390075
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| Compound Name |
[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazin-2-ylmethylcarbamoylamino)propanoyl]amino]butyl]boronic acid
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| Structure |
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| Formula |
C20H28BN5O4
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| Molecular Weight |
413.287
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1cnccn1)B(O)O
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| InChI |
InChI=1S/C20H28BN5O4/c1-14(2)10-18(21(29)30)26-19(27)17(11-15-6-4-3-5-7-15)25-20(28)24-13-16-12-22-8-9-23-16/h3-9,12,14,17-18,29-30H,10-11,13H2,1-2H3,(H,26,27)(H2,24,25,28)/t17-,18-/m0/s1
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| InChIKey |
JZTQMQRUMQSZRC-ROUUACIJSA-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: PT02583, Proteasome subunit beta type-1
Protein ID: PT02579, Proteasome subunit beta type-2
Protein ID: PT02585, Proteasome subunit beta type-5