General Information of the Compound
| Compound ID |
CP0573888
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| Compound Name |
2-amino-8-[2-[(1S,4S)-5-(4-methoxyphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one
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| Structure |
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| Formula |
C25H27N7O3
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| Molecular Weight |
473.537
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| Canonical SMILES |
COc1ccc(cc1)N1C[C@@H]2C[C@H]1CN2CCn1c2nc(N)nc(-c3ccc(C)o3)c2ncc1=O
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| InChI |
InChI=1S/C25H27N7O3/c1-15-3-8-20(35-15)22-23-24(29-25(26)28-22)31(21(33)12-27-23)10-9-30-13-18-11-17(30)14-32(18)16-4-6-19(34-2)7-5-16/h3-8,12,17-18H,9-11,13-14H2,1-2H3,(H2,26,28,29)/t17-,18-/m0/s1
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| InChIKey |
CUZJYJCDTLGEOB-ROUUACIJSA-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