General Information of the Compound
| Compound ID |
CP0500876
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| Compound Name |
8-chloro-2-p-tolyl-5H-3,3a,5,9b-tetraaza-cyclopenta[a]naphthalene-1,4-dione
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| Structure |
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| Formula |
C16H11ClN4O2
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| Molecular Weight |
326.743
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| Canonical SMILES |
Cc1ccc(cc1)-c1nn2n(c3cc(Cl)ccc3[nH]c2=O)c1=O
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| InChI |
InChI=1S/C16H11ClN4O2/c1-9-2-4-10(5-3-9)14-15(22)20-13-8-11(17)6-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)
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| InChIKey |
HGPFVUUTSFNGNR-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