General Information of the Compound
| Compound ID |
CP0389542
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| Compound Name |
[(1R)-3-methyl-1-[[(2S)-2-[(1-oxo-3,4-dihydroisoquinoline-2-carbonyl)amino]-3-phenylpropanoyl]amino]butyl]boronic acid
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| Structure |
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| Formula |
C24H30BN3O5
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| Molecular Weight |
451.332
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2ccccc2C1=O)B(O)O
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| InChI |
InChI=1S/C24H30BN3O5/c1-16(2)14-21(25(32)33)27-22(29)20(15-17-8-4-3-5-9-17)26-24(31)28-13-12-18-10-6-7-11-19(18)23(28)30/h3-11,16,20-21,32-33H,12-15H2,1-2H3,(H,26,31)(H,27,29)/t20-,21-/m0/s1
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| InChIKey |
QFRRATPZZZKVAM-SFTDATJTSA-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000172 | MGC-803 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 7.298 nM
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TI
LI
LO
TS
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