General Information of the Compound
| Compound ID |
CP0374273
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| Compound Name |
(1S,2R,6S)-2,3-Dihydroxy-4-(6-hydroxy-purin-9-yl)-bicyclo[3.1.0]hexane-1-carboxylic acid (S,R)-methylamide
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| Structure |
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| Formula |
C13H15N5O4
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| Molecular Weight |
305.294
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| Canonical SMILES |
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c1nc[nH]c2=O
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| InChI |
InChI=1S/C13H15N5O4/c1-14-12(22)13-2-5(13)7(8(19)9(13)20)18-4-17-6-10(18)15-3-16-11(6)21/h3-5,7-9,19-20H,2H2,1H3,(H,14,22)(H,15,16,21)/t5-,7-,8+,9+,13+/m1/s1
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| InChIKey |
QGRXLATXDZZJNU-XEMBYONJSA-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