General Information of the Compound
| Compound ID |
CP0190263
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| Compound Name |
[(E)-2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]-1-fluoroethenyl]phosphonic acid
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| Structure |
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| Formula |
C24H23FN3O4P
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| Molecular Weight |
467.437
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| Canonical SMILES |
COc1ccc(CCc2cnc3c(N)nc4cc(\C=C(/F)P(O)(O)=O)ccc4c3c2)c(C)c1
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| InChI |
InChI=1S/C24H23FN3O4P/c1-14-9-18(32-2)7-6-17(14)5-3-16-10-20-19-8-4-15(12-22(25)33(29,30)31)11-21(19)28-24(26)23(20)27-13-16/h4,6-13H,3,5H2,1-2H3,(H2,26,28)(H2,29,30,31)/b22-12+
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| InChIKey |
IYXCYGXMQOYQNS-WSDLNYQXSA-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