General Information of the Compound
| Compound ID |
CP0389282
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| Compound Name |
2-[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]-1,3-bis(3-methoxyphenyl)guanidine
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| Structure |
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| Formula |
C26H23N9O3
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| Molecular Weight |
509.53
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| Canonical SMILES |
COc1cccc(NC(Nc2cccc(OC)c2)=Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)c1
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| InChI |
InChI=1S/C26H23N9O3/c1-34-15-20-22(32-34)30-26(35-24(20)29-23(33-35)21-11-6-12-38-21)31-25(27-16-7-4-9-18(13-16)36-2)28-17-8-5-10-19(14-17)37-3/h4-15H,1-3H3,(H2,27,28,30,31,32)
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| InChIKey |
TVTQPGIMAKWXPU-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