General Information of the Compound
| Compound ID |
CP0431114
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| Compound Name |
5-[(Diphenylmethyl)carbonyl]amino-8-n-butyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine
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| Structure |
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| Formula |
C28H25N7O2
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| Molecular Weight |
491.555
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| Canonical SMILES |
CCCCn1cc2c(n1)nc(NC(=O)C(c1ccccc1)c1ccccc1)n1nc(nc21)-c1ccco1
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| InChI |
InChI=1S/C28H25N7O2/c1-2-3-16-34-18-21-24(32-34)30-28(35-26(21)29-25(33-35)22-15-10-17-37-22)31-27(36)23(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-15,17-18,23H,2-3,16H2,1H3,(H,30,31,32,36)
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| InChIKey |
KTDPNBIMPLZPCK-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: PT01278, Adenosine receptor A2b