General Information of the Compound
| Compound ID |
CP0445432
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| Compound Name |
4-amino-8-chloro-2-p-tolyl-3,3a,5,9b-tetraaza-cyclopenta[a]naphthalen-1-one
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| Structure |
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| Formula |
C16H12ClN5O
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| Molecular Weight |
325.759
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| Canonical SMILES |
Cc1ccc(cc1)-c1nn2c(N)nc3ccc(Cl)cc3n2c1=O
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| InChI |
InChI=1S/C16H12ClN5O/c1-9-2-4-10(5-3-9)14-15(23)21-13-8-11(17)6-7-12(13)19-16(18)22(21)20-14/h2-8H,1H3,(H2,18,19)
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| InChIKey |
LBRGGYSEOQRMNO-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