General Information of the Compound
| Compound ID |
CP0344867
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| Compound Name |
(1R,2R,3S,4R,5S)-4-(6-Amino-2-chloro-purin-9-yl)-1-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol
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| Structure |
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| Formula |
C12H14ClN5O3
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| Molecular Weight |
311.729
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| Canonical SMILES |
Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C12H14ClN5O3/c13-11-16-9(14)5-10(17-11)18(3-15-5)6-4-1-12(4,2-19)8(21)7(6)20/h3-4,6-8,19-21H,1-2H2,(H2,14,16,17)/t4-,6-,7+,8+,12+/m1/s1
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| InChIKey |
ZPRWMVGQJGNLCO-OBPILZPTSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT01279, Adenosine receptor A3