General Information of the Compound
| Compound ID |
CP0387483
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| Compound Name |
5-[(4-Biphenylmethyl)carbonyl]amino-8-isopentyl-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 |
C29H27N7O2
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| Molecular Weight |
505.582
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| Canonical SMILES |
CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)-c1ccccc1)n1nc(nc21)-c1ccco1
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| InChI |
InChI=1S/C29H27N7O2/c1-19(2)14-15-35-18-23-26(33-35)32-29(36-28(23)31-27(34-36)24-9-6-16-38-24)30-25(37)17-20-10-12-22(13-11-20)21-7-4-3-5-8-21/h3-13,16,18-19H,14-15,17H2,1-2H3,(H,30,32,33,37)
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| InChIKey |
RGWTYDHLECVCQV-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