General Information of the Compound
| Compound ID |
CP0576763
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| Compound Name |
[(1R)-2-(1-benzofuran-3-yl)-1-[(2-pyrazol-1-ylacetyl)amino]ethyl]boronic acid
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| Structure |
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| Formula |
C15H16BN3O4
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| Molecular Weight |
313.122
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| Canonical SMILES |
OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cn1cccn1
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| InChI |
InChI=1S/C15H16BN3O4/c20-15(9-19-7-3-6-17-19)18-14(16(21)22)8-11-10-23-13-5-2-1-4-12(11)13/h1-7,10,14,21-22H,8-9H2,(H,18,20)/t14-/m0/s1
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| InChIKey |
KLQQPIJPKQSVNL-AWEZNQCLSA-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