General Information of the Compound
| Compound ID |
CP0396687
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| Compound Name |
[(1R)-1-[[(2S)-2-(furan-2-ylmethylcarbamoylamino)-3-phenylpropanoyl]amino]-3-methylbutyl]boronic acid
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| Structure |
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| Formula |
C20H28BN3O5
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| Molecular Weight |
401.272
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccco1)B(O)O
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| InChI |
InChI=1S/C20H28BN3O5/c1-14(2)11-18(21(27)28)24-19(25)17(12-15-7-4-3-5-8-15)23-20(26)22-13-16-9-6-10-29-16/h3-10,14,17-18,27-28H,11-13H2,1-2H3,(H,24,25)(H2,22,23,26)/t17-,18-/m0/s1
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| InChIKey |
VBMZPPMTJIKKJN-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