General Information of the Compound
| Compound ID |
CP0162606
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| Compound Name |
(3S)-1-bromo-3-hydroxy-4-(stearoyloxy)butylphosphonic acid
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| Structure |
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| Formula |
C22H44BrO6P
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| Molecular Weight |
515.466
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| Canonical SMILES |
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CC(Br)P(O)(O)=O
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| InChI |
InChI=1S/C22H44BrO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)29-19-20(24)18-21(23)30(26,27)28/h20-21,24H,2-19H2,1H3,(H2,26,27,28)/t20-,21?/m0/s1
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| InChIKey |
PFFHBTVVORAHDE-BGERDNNASA-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