General Information of the Compound
| Compound ID |
CP0497058
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| Compound Name |
4-amino-4-(hydroxymethyl)-6-(4-octylphenyl)hexylphosphonic acid
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| Structure |
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| Formula |
C21H38NO4P
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| Molecular Weight |
399.512
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| Canonical SMILES |
CCCCCCCCc1ccc(CCC(N)(CO)CCCP(O)(O)=O)cc1
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| InChI |
InChI=1S/C21H38NO4P/c1-2-3-4-5-6-7-9-19-10-12-20(13-11-19)14-16-21(22,18-23)15-8-17-27(24,25)26/h10-13,23H,2-9,14-18,22H2,1H3,(H2,24,25,26)
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| InChIKey |
PQADYNLAFBSVRI-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