General Information of the Compound
| Compound ID |
CP0401405
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| Compound Name |
11-(furan-2-yl)-3-methyl-8-(4-methylpiperazin-1-yl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene
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| Structure |
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| Formula |
C16H18N8O
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| Molecular Weight |
338.375
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| Canonical SMILES |
CN1CCN(CC1)c1nc2cnn(C)c2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C16H18N8O/c1-21-5-7-23(8-6-21)16-18-11-10-17-22(2)13(11)15-19-14(20-24(15)16)12-4-3-9-25-12/h3-4,9-10H,5-8H2,1-2H3
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| InChIKey |
DGFOJUXGIXXUMW-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