General Information of the Compound
| Compound ID |
CP0389286
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| Compound Name |
1,3-bis(4-cyanophenyl)-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]guanidine
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| Structure |
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| Formula |
C10H12N4O5S
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| Molecular Weight |
300.296
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| Canonical SMILES |
C[C@]1(Cn2ccnn2)[C@@H](N2C(CC2=O)S1(=O)=O)C(O)=O
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| InChI |
InChI=1S/C26H17N11O/c1-36-15-20-22(34-36)32-26(37-24(20)31-23(35-37)21-3-2-12-38-21)33-25(29-18-8-4-16(13-27)5-9-18)30-19-10-6-17(14-28)7-11-19/h2-12,15H,1H3,(H2,29,30,32,33,34)
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| InChIKey |
RKZDSCCMCAQSRR-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