General Information of the Compound
| Compound ID |
CP0266847
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| Compound Name |
(1S,2R,3S,4R,5S)-4-[6-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]-2-chloropurin-9-yl]-1-(chloromethyl)bicyclo[3.1.0]hexane-2,3-diol
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| Structure |
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| Formula |
C19H23Cl2N5O2
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| Molecular Weight |
424.332
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| Canonical SMILES |
O[C@@H]1[C@H](O)[C@]2(CCl)C[C@@H]2[C@H]1n1cnc2c(N[C@H]3C[C@H]4CC[C@@H]3C4)nc(Cl)nc12
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| InChI |
InChI=1S/C19H23Cl2N5O2/c20-6-19-5-10(19)13(14(27)15(19)28)26-7-22-12-16(24-18(21)25-17(12)26)23-11-4-8-1-2-9(11)3-8/h7-11,13-15,27-28H,1-6H2,(H,23,24,25)/t8-,9+,10+,11-,13+,14-,15-,19-/m0/s1
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| InChIKey |
UZPVEUSTVZGUFZ-OITXHHBMSA-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: PT05020, Adenosine receptor A1
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT01279, Adenosine receptor A3
Protein ID: PT05025, Adenosine receptor A3