General Information of the Compound
| Compound ID |
CP0474947
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| Compound Name |
9-(3-Hydroxypropyl)-9H-adenine
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| Synonyms |
3-(6-Amino-9H-purin-9-yl)propan-1-ol
3-(6-Amino-9H-purine-9-yl)-1-propanol
3-(6-aminopurin-9-yl)propan-1-ol
711-64-8
9-(3'-hydroxypropyl)adenine
9-(3-Hydroxypropyl)-9H-adenine
9-(3-Hydroxypropyl)adenine
9H-Purine-9-propanol, 6-amino-
AKOS010941287
BDBM50257052
CHEMBL445974
CTK2H3970
DTXSID10500041
MolPort-014-160-140
Oprea1_108729
SCHEMBL1635576
ZINC5391161
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| Structure |
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| Formula |
C8H11N5O
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| Molecular Weight |
193.21
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| Canonical SMILES |
Nc1ncnc2n(CCCO)cnc12
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| InChI |
InChI=1S/C8H11N5O/c9-7-6-8(11-4-10-7)13(5-12-6)2-1-3-14/h4-5,14H,1-3H2,(H2,9,10,11)
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| InChIKey |
BLZBVHFRNUTFCH-UHFFFAOYSA-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
Clinical Information about the Compound