General Information of the Compound
| Compound ID |
CP0545861
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| Compound Name |
[(2R)-1-(4-acetamido-2-fluorobenzoyl)pyrrolidin-2-yl]boronic acid
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| Structure |
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| Formula |
C13H16BFN2O4
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| Molecular Weight |
294.091
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| Canonical SMILES |
CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2B(O)O)c(F)c1
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| InChI |
InChI=1S/C13H16BFN2O4/c1-8(18)16-9-4-5-10(11(15)7-9)13(19)17-6-2-3-12(17)14(20)21/h4-5,7,12,20-21H,2-3,6H2,1H3,(H,16,18)/t12-/m0/s1
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| InChIKey |
CKEMIDDKEDICPU-LBPRGKRZSA-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