General Information of the Compound
| Compound ID |
CP0077413
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| Compound Name |
(2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
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| Synonyms |
[3H]-CCPA
(2R,3R,4S,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
(2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
2-CHLORO-N-CYCLOPENTYLADENOSINE
2-Chloro-N6-cyclopentyladenosine
2-Chloro-N6-cyclopentyladenosine hemihydrate
2-Cl-CPA
2-chloro-N(6)cyclopentyladenosine
2-chloro-N6-cyclopentyladenosine
37739-05-2
AC1L3XBY
Adenosine, 2-chloro-N-cyclopentyl-
BRN 4888162
C15H20ClN5O4
CCPA
CHEMBL284969
[3H]-CCPA
[3H]CCPA
ccpa (biochemistry)
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| Structure |
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| Formula |
C15H20ClN5O4
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| Molecular Weight |
369.809
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
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| InChI |
InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
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| InChIKey |
XSMYYYQVWPZWIZ-IDTAVKCVSA-N
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| CAS |
37739-05-2
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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: PT01717, Adenosine receptor A1
Protein ID: PT00840, Adenosine receptor A1
Cell-based Assay
Protein ID: PT05020, Adenosine receptor A1
Protein ID: PT06256, Adenosine receptor A2a
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3
Cell-based Assay
Protein ID: PT05025, Adenosine receptor A3
Protein ID: PT01827, Adenosine receptor A3
Clinical Information about the Compound