General Information of the Compound
| Compound ID |
CP0393020
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| Compound Name |
N-cyclopentyl-9-methyl-8-(3-methylphenyl)purin-6-amine
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| Structure |
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| Formula |
C18H21N5
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| Molecular Weight |
307.401
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| Canonical SMILES |
Cc1cccc(c1)-c1nc2c(NC3CCCC3)ncnc2n1C
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| InChI |
InChI=1S/C18H21N5/c1-12-6-5-7-13(10-12)17-22-15-16(21-14-8-3-4-9-14)19-11-20-18(15)23(17)2/h5-7,10-11,14H,3-4,8-9H2,1-2H3,(H,19,20,21)
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| InChIKey |
VDEBTXCDNXRPRG-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