General Information of the Compound
| Compound ID |
CP0920392
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| Compound Name |
2-Hydroxymethyl-5-[6-(7-oxa-bicyclo[2.2.1]hept-2-ylamino)-purin-9-ylmethyl]-tetrahydro-furan-3,4-diol
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| Structure |
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| Formula |
C17H23N5O5
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| Molecular Weight |
377.401
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| Canonical SMILES |
OC[C@H]1O[C@@H](Cn2cnc3c(NC4CC5CCC4O5)ncnc32)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C17H23N5O5/c23-5-12-15(25)14(24)11(27-12)4-22-7-20-13-16(18-6-19-17(13)22)21-9-3-8-1-2-10(9)26-8/h6-12,14-15,23-25H,1-5H2,(H,18,19,21)/t8?,9?,10?,11-,12+,14-,15+/m0/s1
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| InChIKey |
AXMPLTPJMXKDIV-NODDMWKQSA-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