General Information of the Compound
| Compound ID |
CP0520364
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| Compound Name |
(3-{2-[4-(adamantan-1-yl)phenoxy]acetamido}-4-hydroxyphenyl)boronic acid
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| Structure |
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| Formula |
C24H28BNO5
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| Molecular Weight |
421.302
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| Canonical SMILES |
OB(O)c1ccc(O)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1
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| InChI |
InChI=1S/C24H28BNO5/c27-22-6-3-19(25(29)30)10-21(22)26-23(28)14-31-20-4-1-18(2-5-20)24-11-15-7-16(12-24)9-17(8-15)13-24/h1-6,10,15-17,27,29-30H,7-9,11-14H2,(H,26,28)
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| InChIKey |
FGVOSKQTRWPEEW-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