General Information of the Compound
| Compound ID |
CP0527791
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| Compound Name |
[(1R)-1-[[(2S)-2-[(2,3-difluorobenzoyl)amino]-3-phenylpropanoyl]amino]-3-methylbutyl]boronic acid
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| Structure |
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| Formula |
C21H25BF2N2O4
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| Molecular Weight |
418.249
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(F)c1F)B(O)O
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| InChI |
InChI=1S/C21H25BF2N2O4/c1-13(2)11-18(22(29)30)26-21(28)17(12-14-7-4-3-5-8-14)25-20(27)15-9-6-10-16(23)19(15)24/h3-10,13,17-18,29-30H,11-12H2,1-2H3,(H,25,27)(H,26,28)/t17-,18-/m0/s1
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| InChIKey |
JBYSVYLKZYAPFV-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