General Information of the Compound
| Compound ID |
CP0433663
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| Compound Name |
[(3S)-3-hydroxy-4-(4-octylphenoxy)butyl]phosphonic acid
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| Structure |
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| Formula |
C18H31O5P
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| Molecular Weight |
358.415
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| Canonical SMILES |
CCCCCCCCc1ccc(OC[C@@H](O)CCP(O)(O)=O)cc1
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| InChI |
InChI=1S/C18H31O5P/c1-2-3-4-5-6-7-8-16-9-11-18(12-10-16)23-15-17(19)13-14-24(20,21)22/h9-12,17,19H,2-8,13-15H2,1H3,(H2,20,21,22)/t17-/m0/s1
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| InChIKey |
NQXUTXXSTGLUHU-KRWDZBQOSA-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