General Information of the Compound
| Compound ID |
CP0476052
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| Compound Name |
2-[[3-(diethoxyphosphorylmethyl)-4-hydroxyanilino]methyl]benzene-1,4-diol
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| Structure |
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| Formula |
C18H24NO6P
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| Molecular Weight |
381.365
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| Canonical SMILES |
CCOP(=O)(Cc1cc(NCc2cc(O)ccc2O)ccc1O)OCC
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| InChI |
InChI=1S/C18H24NO6P/c1-3-24-26(23,25-4-2)12-14-9-15(5-7-18(14)22)19-11-13-10-16(20)6-8-17(13)21/h5-10,19-22H,3-4,11-12H2,1-2H3
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| InChIKey |
ZLXUGUASYCUVJQ-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