General Information of the Compound
| Compound ID |
CP0396689
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| Compound Name |
[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-[(3-phenylphenyl)methylcarbamoylamino]propanoyl]amino]butyl]boronic acid
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| Structure |
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| Formula |
C28H34BN3O4
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| Molecular Weight |
487.409
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1cccc(c1)-c1ccccc1)B(O)O
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| InChI |
InChI=1S/C28H34BN3O4/c1-20(2)16-26(29(35)36)32-27(33)25(18-21-10-5-3-6-11-21)31-28(34)30-19-22-12-9-15-24(17-22)23-13-7-4-8-14-23/h3-15,17,20,25-26,35-36H,16,18-19H2,1-2H3,(H,32,33)(H2,30,31,34)/t25-,26-/m0/s1
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| InChIKey |
MLGRIYLSHNIMAH-UIOOFZCWSA-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 = 5.873 nM
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TI
LI
LO
TS
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