General Information of the Compound
| Compound ID |
CP0350278
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| Compound Name |
[2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]-1,1-difluoro-2-oxoethyl]phosphonic acid
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| Structure |
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| Formula |
C24H22F2N3O5P
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| Molecular Weight |
501.426
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| Canonical SMILES |
COc1ccc(CCc2cnc3c(N)nc4cc(ccc4c3c2)C(=O)C(F)(F)P(O)(O)=O)c(C)c1
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| InChI |
InChI=1S/C24H22F2N3O5P/c1-13-9-17(34-2)7-5-15(13)4-3-14-10-19-18-8-6-16(22(30)24(25,26)35(31,32)33)11-20(18)29-23(27)21(19)28-12-14/h5-12H,3-4H2,1-2H3,(H2,27,29)(H2,31,32,33)
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| InChIKey |
XXJFOVZZZZWBFG-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