General Information of the Compound
| Compound ID |
CP0463445
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| Compound Name |
5-(cyclohexylcarbamoylamino)-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
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| Structure |
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| Formula |
C25H27N7O3
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| Molecular Weight |
473.537
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| Canonical SMILES |
O=C(NC1CCCCC1)Nc1ncc(C(=O)NCCc2ccccc2)c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C25H27N7O3/c33-23(26-14-13-17-8-3-1-4-9-17)19-16-27-24(30-25(34)28-18-10-5-2-6-11-18)32-22(19)29-21(31-32)20-12-7-15-35-20/h1,3-4,7-9,12,15-16,18H,2,5-6,10-11,13-14H2,(H,26,33)(H2,27,28,30,34)
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| InChIKey |
DFSSZVWKIQRZFF-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3