General Information of the Compound
| Compound ID |
CP0387482
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| Compound Name |
5-[(Diphenylmethyl)carbonyl]amino-8-(2-phenylethyl)-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 |
C32H25N7O2
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| Molecular Weight |
539.599
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| Canonical SMILES |
O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C32H25N7O2/c40-31(27(23-13-6-2-7-14-23)24-15-8-3-9-16-24)35-32-34-28-25(21-38(36-28)19-18-22-11-4-1-5-12-22)30-33-29(37-39(30)32)26-17-10-20-41-26/h1-17,20-21,27H,18-19H2,(H,34,35,36,40)
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| InChIKey |
LWYRFEDQIGXNNB-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