General Information of the Compound
| Compound ID |
CP0498712
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| Compound Name |
2-(4-Adamantan-1-yl-phenoxy)-N-[2-hydroxy-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-acetamide
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| Structure |
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| Formula |
C30H38BNO5
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| Molecular Weight |
503.448
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| Canonical SMILES |
CC1(C)OB(OC1(C)C)c1ccc(O)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1
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| InChI |
InChI=1S/C30H38BNO5/c1-28(2)29(3,4)37-31(36-28)23-7-10-26(33)25(14-23)32-27(34)18-35-24-8-5-22(6-9-24)30-15-19-11-20(16-30)13-21(12-19)17-30/h5-10,14,19-21,33H,11-13,15-18H2,1-4H3,(H,32,34)
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| InChIKey |
OBDXJUBRYQYOCS-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