General Information of the Compound
| Compound ID |
CP0449888
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| Compound Name |
(2R,4S)-4-(2-Amino-6-hydroxy-purin-9-yl)-1-((R)-(R)-1-hydroxymethyl)-bicyclo[3.1.0]hexane-2,3-diol
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| Structure |
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| Formula |
C12H15N5O4
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| Molecular Weight |
293.283
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| Canonical SMILES |
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C12H15N5O4/c13-11-15-9-5(10(21)16-11)14-3-17(9)6-4-1-12(4,2-18)8(20)7(6)19/h3-4,6-8,18-20H,1-2H2,(H3,13,15,16,21)/t4-,6-,7+,8+,12+/m1/s1
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| InChIKey |
KISLWFQKRFAWJK-OBPILZPTSA-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