General Information of the Compound
| Compound ID |
CP0421040
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| Compound Name |
(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-propan-2-yloxolane-2-carboxamide
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| Structure |
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| Formula |
C13H18N6O4
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| Molecular Weight |
322.325
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| Canonical SMILES |
CC(C)NC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
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| InChI |
InChI=1S/C13H18N6O4/c1-5(2)18-12(22)9-7(20)8(21)13(23-9)19-4-17-6-10(14)15-3-16-11(6)19/h3-5,7-9,13,20-21H,1-2H3,(H,18,22)(H2,14,15,16)/t7-,8+,9-,13?/m0/s1
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| InChIKey |
FKRVKZRCTXANDS-LBXNUOQPSA-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3