General Information of the Compound
| Compound ID |
CP0882232
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| Compound Name |
2-Amino-N6-propyladenosine-5'-N-methylcarboxamide
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| Structure |
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| Formula |
C14H21N7O4
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| Molecular Weight |
351.367
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| Canonical SMILES |
CCCNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C14H21N7O4/c1-3-4-17-10-6-11(20-14(15)19-10)21(5-18-6)13-8(23)7(22)9(25-13)12(24)16-2/h5,7-9,13,22-23H,3-4H2,1-2H3,(H,16,24)(H3,15,17,19,20)/t7-,8+,9-,13+/m0/s1
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| InChIKey |
UUMNNXVQIQCMFL-QRIDJOKKSA-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3