General Information of the Compound
| Compound ID |
CP0492834
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| Compound Name |
9-(5'-Cyclopropylaminocarbonyl-4'-thio-beta-D-ribofuranosyl)-N6-methyladenine
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| Structure |
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| Formula |
C14H18N6O3S
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| Molecular Weight |
350.404
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| Canonical SMILES |
CNc1ncnc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
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| InChI |
InChI=1S/C14H18N6O3S/c1-15-11-7-12(17-4-16-11)20(5-18-7)14-9(22)8(21)10(24-14)13(23)19-6-2-3-6/h4-6,8-10,14,21-22H,2-3H2,1H3,(H,19,23)(H,15,16,17)/t8-,9+,10-,14+/m0/s1
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| InChIKey |
OHXZOAPLKFBSPO-AEISUSGSSA-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
Protein ID: PT01279, Adenosine receptor A3