General Information of the Compound
| Compound ID |
CP0381883
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| Compound Name |
9-(2-Hydroxypropyl)-9H-adenine
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| Synonyms |
1-(6-Amino-9H-purin-9-yl)-2-propanol #
1-(6-Amino-purin-9-yl)-propan-2-ol
1-(6-aminopurin-9-yl)propan-2-ol
3-(6-Amino-9-purinyl)-2-propanol
4CH-018216
4CH-024207
9-(2-Hydroxy-1-propyl)adenine
9-(2-Hydroxypropyl)-9H-adenine
9-(2-Hydroxypropyl)adenine
9H-Purine-9-ethanol, 6-amino-.alpha.-methyl-
A3032
AC1L1CKL
AKOS010941288
AN-7936
BCP14341
BDBM50257055
CHEMBL504495
CTK6A8458
MFCD07369451 (97+%)
MJZYTEBKXLVLMY-UHFFFAOYSA-N
SCHEMBL904363
SY022843
TRA0093894
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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 |
CC(O)Cn1cnc2c(N)ncnc12
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| InChI |
InChI=1S/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11)
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| InChIKey |
MJZYTEBKXLVLMY-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