General Information of the Compound
| Compound ID |
CP0501289
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| Compound Name |
3-Benzyl-1-methyl-9-thiophen-3-yl-pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-one
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| Structure |
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| Formula |
C20H15N5OS
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| Molecular Weight |
373.441
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| Canonical SMILES |
Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccsc1
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| InChI |
InChI=1S/C20H15N5OS/c1-13-18-17-9-16(15-7-8-27-11-15)23-25(17)12-21-19(18)20(26)24(22-13)10-14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3
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| InChIKey |
PNXKNLVMBBJLFQ-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