General Information of the Compound
| Compound ID |
CP0135358
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| Compound Name |
(S)-DHPA
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| Synonyms |
(2S)-3-(6-aminopurin-9-yl)propane-1,2-diol
(2s)-3-(6-amino-9h-purin-9-yl)propane-1,2-diol
(S)-3-(6-Amino-9H-purin-9-yl)-1,2-propanediol
(S)-9-(2,3-Dihydroxypropyl)adenine
(S)-DHPA
1,2-Propanediol, 3-(6-amino-9H-purin-9-yl)-, (S)-
5-26-16-00201 (Beilstein Handbook Reference)
54262-83-8
9-(1,2-dihydroxypropyl)adenine
9-(S)-(2,3-Dihydroxypropyl)adenine
9-D-(2,3-Dihydroxypropyl)adenine
AC1L2JB5
AC1Q4VGK
BRN 0990757
CHEMBL494759
CTK5A0230
DHPA, (S)-DHPA
S-Dihydroxypropyladenine
SCHEMBL936286
ZINC370772
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| Structure |
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| Formula |
C8H11N5O2
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| Molecular Weight |
209.209
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| Canonical SMILES |
Nc1ncnc2n(C[C@H](O)CO)cnc12
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| InChI |
InChI=1S/C8H11N5O2/c9-7-6-8(11-3-10-7)13(4-12-6)1-5(15)2-14/h3-5,14-15H,1-2H2,(H2,9,10,11)/t5-/m0/s1
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| InChIKey |
GSLQFBVNOFBPRJ-YFKPBYRVSA-N
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| CAS |
54262-83-8
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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
Clinical Information about the Compound