General Information of the Compound
| Compound ID |
CP0478215
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| Compound Name |
[(1R)-1-[[(2S)-2-[(2,3-dimethylphenyl)methylcarbamoylamino]-3-phenylpropanoyl]amino]-3-methylbutyl]boronic acid
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| Structure |
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| Formula |
C24H34BN3O4
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| Molecular Weight |
439.365
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1cccc(C)c1C)B(O)O
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| InChI |
InChI=1S/C24H34BN3O4/c1-16(2)13-22(25(31)32)28-23(29)21(14-19-10-6-5-7-11-19)27-24(30)26-15-20-12-8-9-17(3)18(20)4/h5-12,16,21-22,31-32H,13-15H2,1-4H3,(H,28,29)(H2,26,27,30)/t21-,22-/m0/s1
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| InChIKey |
ZWXBHHXHLYJPNQ-VXKWHMMOSA-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