General Information of the Compound
| Compound ID |
CP0217014
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| Compound Name |
2-[2-[2-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]ethoxy]ethoxy]ethylphosphonic acid
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| Structure |
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| Formula |
C28H34N3O6P
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| Molecular Weight |
539.569
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| Canonical SMILES |
Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(OCCOCCOCCP(O)(O)=O)cc3C)cc21
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| InChI |
InChI=1S/C28H34N3O6P/c1-19-3-8-24-25-17-21(18-30-27(25)28(29)31-26(24)15-19)4-5-22-6-7-23(16-20(22)2)37-12-11-35-9-10-36-13-14-38(32,33)34/h3,6-8,15-18H,4-5,9-14H2,1-2H3,(H2,29,31)(H2,32,33,34)
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| InChIKey |
QQUPAJYYIJEWMA-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