General Information of the Compound
| Compound ID |
CP0571545
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| Compound Name |
2-amino-8-[2-[4-(2-fluoro-4-methoxyphenyl)piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one
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| Structure |
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| Formula |
C24H26FN7O3
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| Molecular Weight |
479.516
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| Canonical SMILES |
COc1ccc(N2CCN(CCn3c4nc(N)nc(-c5ccc(C)o5)c4ncc3=O)CC2)c(F)c1
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| InChI |
InChI=1S/C24H26FN7O3/c1-15-3-6-19(35-15)21-22-23(29-24(26)28-21)32(20(33)14-27-22)12-9-30-7-10-31(11-8-30)18-5-4-16(34-2)13-17(18)25/h3-6,13-14H,7-12H2,1-2H3,(H2,26,28,29)
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| InChIKey |
ZXXGDJMDSIMSTR-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