General Information of the Compound
| Compound ID |
CP0544805
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| Compound Name |
[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(quinoxaline-2-carbonylamino)propanoyl]amino]butyl]boronic acid
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| Structure |
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| Formula |
C23H27BN4O4
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| Molecular Weight |
434.305
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)B(O)O
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| InChI |
InChI=1S/C23H27BN4O4/c1-15(2)12-21(24(31)32)28-22(29)19(13-16-8-4-3-5-9-16)27-23(30)20-14-25-17-10-6-7-11-18(17)26-20/h3-11,14-15,19,21,31-32H,12-13H2,1-2H3,(H,27,30)(H,28,29)/t19-,21-/m0/s1
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| InChIKey |
USOFNVVPUCIWHD-FPOVZHCZSA-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