General Information of the Compound
| Compound ID |
CP0564459
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| Compound Name |
[(2R)-1-(4-acetamidobenzoyl)pyrrolidin-2-yl]boronic acid
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| Structure |
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| Formula |
C13H17BN2O4
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| Molecular Weight |
276.101
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H]1B(O)O
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| InChI |
InChI=1S/C13H17BN2O4/c1-9(17)15-11-6-4-10(5-7-11)13(18)16-8-2-3-12(16)14(19)20/h4-7,12,19-20H,2-3,8H2,1H3,(H,15,17)/t12-/m0/s1
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| InChIKey |
XMOQCYFKLKTWRB-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