General Information of the Compound
| Compound ID |
CP0847469
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| Compound Name |
2-{6-Amino-2-[N'-(3-methyl-butylidene)-hydrazino]-purin-9-yl}-5-isopropylsulfanylmethyl-tetrahydro-furan-3,4-diol
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| Structure |
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| Formula |
C18H29N7O3S
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| Molecular Weight |
423.543
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| Canonical SMILES |
CC(C)C/C=N/Nc1nc(N)c2ncn([C@@H]3O[C@H](CSC(C)C)[C@@H](O)[C@H]3O)c2n1
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| InChI |
InChI=1S/C18H29N7O3S/c1-9(2)5-6-21-24-18-22-15(19)12-16(23-18)25(8-20-12)17-14(27)13(26)11(28-17)7-29-10(3)4/h6,8-11,13-14,17,26-27H,5,7H2,1-4H3,(H3,19,22,23,24)/b21-6+/t11-,13-,14-,17-/m1/s1
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| InChIKey |
UUYLHNPWTBUDFV-DXALFEDPSA-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