General Information of the Compound
| Compound ID |
CP0401230
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| Compound Name |
2-[3-(dimethylamino)propyl]-1-ethyl-3-[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]guanidine
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| Structure |
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| Formula |
C19H26N10O
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| Molecular Weight |
410.486
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| Canonical SMILES |
CCN\C(NCCCN(C)C)=N/c1nc2nn(C)cc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C19H26N10O/c1-5-20-18(21-9-7-10-27(2)3)24-19-23-15-13(12-28(4)25-15)17-22-16(26-29(17)19)14-8-6-11-30-14/h6,8,11-12H,5,7,9-10H2,1-4H3,(H2,20,21,23,24,25)
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| InChIKey |
AJAAGHYTDBRMNZ-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