General Information of the Compound
| Compound ID |
CP0503246
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| Compound Name |
2-Chloro-N6-cyclopentyl-9H-(2-C-methyl-5-chloro-5-deoxy-beta-D-ribofuranosyl)adenine
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| Structure |
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| Formula |
C16H21Cl2N5O3
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| Molecular Weight |
402.282
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| Canonical SMILES |
C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12
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| InChI |
InChI=1S/C16H21Cl2N5O3/c1-16(25)11(24)9(6-17)26-14(16)23-7-19-10-12(20-8-4-2-3-5-8)21-15(18)22-13(10)23/h7-9,11,14,24-25H,2-6H2,1H3,(H,20,21,22)/t9-,11-,14-,16-/m1/s1
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| InChIKey |
GHKVAAPTNWFDFP-ROMFRFKVSA-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3