General Information of the Compound
| Compound ID |
CP0390582
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| Compound Name |
6-N-cycloheptyl-2-N-phenyl-7H-purine-2,6-diamine
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| Structure |
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| Formula |
C18H22N6
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| Molecular Weight |
322.416
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| Canonical SMILES |
C1CCCC(CC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12
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| InChI |
InChI=1S/C18H22N6/c1-2-5-9-13(8-4-1)21-17-15-16(20-12-19-15)23-18(24-17)22-14-10-6-3-7-11-14/h3,6-7,10-13H,1-2,4-5,8-9H2,(H3,19,20,21,22,23,24)
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| InChIKey |
YDYCGADXGCIRTH-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: PT01279, Adenosine receptor A3