General Information of the Compound
| Compound ID |
CP0900064
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| Compound Name |
5-(2,6-Diamino-purin-9-yl)-2-ethynyl-2-hydroxymethyl-tetrahydro-furan-3-ol
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| Structure |
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| Formula |
C12H14N6O3
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| Molecular Weight |
290.283
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| Canonical SMILES |
C#C[C@]1(CO)O[C@@H](n2cnc3c(N)nc(N)nc32)C[C@@H]1O
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| InChI |
InChI=1S/C12H14N6O3/c1-2-12(4-19)6(20)3-7(21-12)18-5-15-8-9(13)16-11(14)17-10(8)18/h1,5-7,19-20H,3-4H2,(H4,13,14,16,17)/t6-,7+,12+/m0/s1
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| InChIKey |
XDHLSXXFUCIEFB-QRPMWFLTSA-N
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| CAS |
306305-12-4
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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