General Information of the Compound
| Compound ID |
CP0571547
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| Compound Name |
2-amino-8-[2-[3-(4-methoxyphenyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one
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| Structure |
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| Formula |
C26H29N7O3
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| Molecular Weight |
487.564
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| Canonical SMILES |
COc1ccc(cc1)N1CC2CCC(C1)N2CCn1c2nc(N)nc(-c3ccc(C)o3)c2ncc1=O
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| InChI |
InChI=1S/C26H29N7O3/c1-16-3-10-21(36-16)23-24-25(30-26(27)29-23)33(22(34)13-28-24)12-11-32-18-4-5-19(32)15-31(14-18)17-6-8-20(35-2)9-7-17/h3,6-10,13,18-19H,4-5,11-12,14-15H2,1-2H3,(H2,27,29,30)
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| InChIKey |
GMFOJJKMBOYICL-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