General Information of the Compound
| Compound ID |
CP0391134
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| Compound Name |
[4-[2-(4-tert-butylanilino)-2-oxoethyl]phenyl]boronic acid
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| Structure |
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| Formula |
C18H22BNO3
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| Molecular Weight |
311.19
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)Cc2ccc(cc2)B(O)O)cc1
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| InChI |
InChI=1S/C18H22BNO3/c1-18(2,3)14-6-10-16(11-7-14)20-17(21)12-13-4-8-15(9-5-13)19(22)23/h4-11,22-23H,12H2,1-3H3,(H,20,21)
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| InChIKey |
YDNVUZAZUIOLIW-UHFFFAOYSA-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