General Information of the Compound
| Compound ID |
CP0521708
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| Compound Name |
[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoyl]amino]butyl]boronic acid
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| Structure |
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| Formula |
C23H32BN3O4
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| Molecular Weight |
425.338
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1ccccc1)B(O)O
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| InChI |
InChI=1S/C23H32BN3O4/c1-16(2)14-21(24(30)31)27-22(28)20(15-18-10-6-4-7-11-18)26-23(29)25-17(3)19-12-8-5-9-13-19/h4-13,16-17,20-21,30-31H,14-15H2,1-3H3,(H,27,28)(H2,25,26,29)/t17-,20+,21+/m1/s1
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| InChIKey |
NUYQIFLRVLIZGY-QMMLZNLJSA-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