General Information of the Compound
| Compound ID |
CP0479120
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| Compound Name |
3-Benzyl-1-chloro-6-methyl-9-phenylpyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-one
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| Structure |
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| Formula |
C22H16ClN5O
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| Molecular Weight |
401.857
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| Canonical SMILES |
Cc1nc2c(c(Cl)nn(Cc3ccccc3)c2=O)c2cc(nn12)-c1ccccc1
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| InChI |
InChI=1S/C22H16ClN5O/c1-14-24-20-19(18-12-17(25-28(14)18)16-10-6-3-7-11-16)21(23)26-27(22(20)29)13-15-8-4-2-5-9-15/h2-12H,13H2,1H3
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| InChIKey |
CORJPLANXRFZNY-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