General Information of the Compound
| Compound ID |
CP0571152
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| Compound Name |
[(1R)-2-(4-chlorophenyl)-1-[(2-phenylacetyl)amino]ethyl]boronic acid
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| Structure |
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| Formula |
C16H17BClNO3
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| Molecular Weight |
317.581
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| Canonical SMILES |
OB(O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccccc1
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| InChI |
InChI=1S/C16H17BClNO3/c18-14-8-6-13(7-9-14)10-15(17(21)22)19-16(20)11-12-4-2-1-3-5-12/h1-9,15,21-22H,10-11H2,(H,19,20)/t15-/m0/s1
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| InChIKey |
CQEDQKOMUWCDED-HNNXBMFYSA-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