General Information of the Compound
| Compound ID |
CP0496116
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| Compound Name |
5-Dimethylamino-2-(2-furyl)-7-n-pentylcarbonylamino-[1,2,4]triazolo[1,5-a]-[1,3,5]triazine
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| Structure |
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| Formula |
C16H21N7O2
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| Molecular Weight |
343.391
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| Canonical SMILES |
CCCCCC(=O)Nc1nc(nc2nc(nn12)-c1ccco1)N(C)C
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| InChI |
InChI=1S/C16H21N7O2/c1-4-5-6-9-12(24)17-15-19-14(22(2)3)20-16-18-13(21-23(15)16)11-8-7-10-25-11/h7-8,10H,4-6,9H2,1-3H3,(H,17,18,19,20,21,24)
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| InChIKey |
MXGNPZRQEUOQFW-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3