General Information of the Compound
| Compound ID |
CP0401226
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| Compound Name |
1-[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2,3-di(propan-2-yl)guanidine
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| Structure |
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| Formula |
C18H23N9O
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| Molecular Weight |
381.444
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| Canonical SMILES |
CC(C)NC(NC(C)C)=Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C18H23N9O/c1-10(2)19-17(20-11(3)4)23-18-22-14-12(9-26(5)24-14)16-21-15(25-27(16)18)13-7-6-8-28-13/h6-11H,1-5H3,(H2,19,20,22,23,24)
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| InChIKey |
BKSINLBGYYVEDX-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