General Information of the Compound
| Compound ID |
CP0406689
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| Compound Name |
[4-[[[(Z)-octadec-9-enoyl]amino]methyl]phenyl]boronic acid
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| Structure |
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| Formula |
C25H42BNO3
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| Molecular Weight |
415.427
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| Canonical SMILES |
CCCCCCCC\C=C/CCCCCCCC(=O)NCc1ccc(cc1)B(O)O
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| InChI |
InChI=1S/C25H42BNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(28)27-22-23-18-20-24(21-19-23)26(29)30/h9-10,18-21,29-30H,2-8,11-17,22H2,1H3,(H,27,28)/b10-9-
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| InChIKey |
FOKWSWNIPQOPSU-KTKRTIGZSA-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