General Information of the Compound
| Compound ID |
CP0381963
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| Compound Name |
4-(cyclohexylamino)-2-phenylpyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1(2H)-one
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| Structure |
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| Formula |
C20H20N6O
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| Molecular Weight |
360.421
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| Canonical SMILES |
O=c1n(nc2c(NC3CCCCC3)nc3ncccc3n12)-c1ccccc1
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| InChI |
InChI=1S/C20H20N6O/c27-20-25-16-12-7-13-21-17(16)23-18(22-14-8-3-1-4-9-14)19(25)24-26(20)15-10-5-2-6-11-15/h2,5-7,10-14H,1,3-4,8-9H2,(H,21,22,23)
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| InChIKey |
JIBITRQNBXVGNX-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: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3