General Information of the Compound
| Compound ID |
CP0381063
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| Compound Name |
[5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxyphenyl]methylphosphonic acid
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| Structure |
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| Formula |
C14H16NO6P
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| Molecular Weight |
325.257
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| Canonical SMILES |
Oc1ccc(O)c(CNc2ccc(O)c(CP(O)(O)=O)c2)c1
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| InChI |
InChI=1S/C14H16NO6P/c16-12-2-4-13(17)9(6-12)7-15-11-1-3-14(18)10(5-11)8-22(19,20)21/h1-6,15-18H,7-8H2,(H2,19,20,21)
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| InChIKey |
VMTDRVHYULWNHX-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