General Information of the Compound
| Compound ID |
CP0430936
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| Compound Name |
5-[(4-Biphenylmethyl)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(Cc1ccc(cc1)-c1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C32H25N7O2/c40-28(20-23-13-15-25(16-14-23)24-10-5-2-6-11-24)33-32-35-29-26(21-38(36-29)18-17-22-8-3-1-4-9-22)31-34-30(37-39(31)32)27-12-7-19-41-27/h1-16,19,21H,17-18,20H2,(H,33,35,36,40)
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| InChIKey |
PNOQQVSGIKLEDH-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