General Information of the Compound
| Compound ID |
CP0537946
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| Compound Name |
(2R,3R,4S,5R)-2-[6-amino-2-[(2E)-2-(1,3-thiazol-5-ylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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| Structure |
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| Formula |
C14H16N8O4S
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| Molecular Weight |
392.401
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| Canonical SMILES |
Nc1nc(N\N=C\c2cncs2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C14H16N8O4S/c15-11-8-12(20-14(19-11)21-18-2-6-1-16-5-27-6)22(4-17-8)13-10(25)9(24)7(3-23)26-13/h1-2,4-5,7,9-10,13,23-25H,3H2,(H3,15,19,20,21)/b18-2+/t7-,9-,10-,13-/m1/s1
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| InChIKey |
DDQBEVZNARJBQF-SSGSQSKESA-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
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a