General Information of the Compound
| Compound ID |
CP0190288
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| Compound Name |
[(E)-2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethenyl]phosphonic acid
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| Structure |
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| Formula |
C24H24N3O4P
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| Molecular Weight |
449.447
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| Canonical SMILES |
COc1ccc(CCc2cnc3c(N)nc4cc(\C=C\P(O)(O)=O)ccc4c3c2)c(C)c1
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| InChI |
InChI=1S/C24H24N3O4P/c1-15-11-19(31-2)7-6-18(15)5-3-17-12-21-20-8-4-16(9-10-32(28,29)30)13-22(20)27-24(25)23(21)26-14-17/h4,6-14H,3,5H2,1-2H3,(H2,25,27)(H2,28,29,30)/b10-9+
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| InChIKey |
KYHIRTBCIMVJCB-MDZDMXLPSA-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