General Information of the Compound
| Compound ID |
CP0445291
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| Compound Name |
(1R,2R,3S,4R,5S)-4-[2-chloro-6-[[(1S)-1-cyclopropylpropyl]amino]purin-9-yl]bicyclo[3.1.0]hexane-2,3-diol
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| Structure |
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| Formula |
C17H22ClN5O2
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| Molecular Weight |
363.849
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| Canonical SMILES |
CC[C@H](Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O)C1CC1
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| InChI |
InChI=1S/C17H22ClN5O2/c1-2-10(7-3-4-7)20-15-11-16(22-17(18)21-15)23(6-19-11)12-8-5-9(8)13(24)14(12)25/h6-10,12-14,24-25H,2-5H2,1H3,(H,20,21,22)/t8-,9+,10-,12+,13+,14-/m0/s1
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| InChIKey |
LXOVHAITIOGBCU-GKCFGQDOSA-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: PT01279, Adenosine receptor A3