General Information of the Compound
| Compound ID |
CP0847369
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| Compound Name |
2-{6-Amino-2-[N'-(3-methyl-butylidene)-hydrazino]-purin-9-yl}-5-ethylsulfanylmethyl-tetrahydro-furan-3,4-diol
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| Structure |
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| Formula |
C17H27N7O3S
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| Molecular Weight |
409.516
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| Canonical SMILES |
CCSC[C@H]1O[C@@H](n2cnc3c(N)nc(N/N=C/CC(C)C)nc32)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C17H27N7O3S/c1-4-28-7-10-12(25)13(26)16(27-10)24-8-19-11-14(18)21-17(22-15(11)24)23-20-6-5-9(2)3/h6,8-10,12-13,16,25-26H,4-5,7H2,1-3H3,(H3,18,21,22,23)/b20-6+/t10-,12-,13-,16-/m1/s1
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| InChIKey |
VCPIKIQUZLARFA-DNZQAUTHSA-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: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3