General Information of the Compound
| Compound ID |
CP0571542
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| Compound Name |
2-amino-8-[2-[(2S)-4-(2-fluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one
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| Structure |
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| Formula |
C25H28FN7O3
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| Molecular Weight |
493.543
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| Canonical SMILES |
COc1ccc(N2CCN(CCn3c4nc(N)nc(-c5ccc(C)o5)c4ncc3=O)[C@@H](C)C2)c(F)c1
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| InChI |
InChI=1S/C25H28FN7O3/c1-15-14-32(19-6-5-17(35-3)12-18(19)26)9-8-31(15)10-11-33-21(34)13-28-23-22(20-7-4-16(2)36-20)29-25(27)30-24(23)33/h4-7,12-13,15H,8-11,14H2,1-3H3,(H2,27,29,30)/t15-/m0/s1
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| InChIKey |
QLDKSNSJQOSBLD-HNNXBMFYSA-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