General Information of the Compound
| Compound ID |
CP0496583
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| Compound Name |
1-Methyl-2-phenyl-1,4,6,7-tetrahydro-1,3,4,5a,8-pentaaza-as-indacen-5-one
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| Formula |
C14H13N5O
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| Molecular Weight |
267.292
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| Canonical SMILES |
Cn1c(nc2NC(=O)N3CCN=C3c12)-c1ccccc1
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| InChI |
InChI=1S/C14H13N5O/c1-18-10-11(16-12(18)9-5-3-2-4-6-9)17-14(20)19-8-7-15-13(10)19/h2-6H,7-8H2,1H3,(H,17,20)
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| InChIKey |
NJTWDMAAWUBSLI-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: PT01608, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3