General Information of the Compound
| Compound ID |
CP0473051
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| Compound Name |
3-[4-(aminomethyl)piperidin-1-yl]-N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]propanamide
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| Structure |
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| Formula |
C26H30N8O2
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| Molecular Weight |
486.58
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| Canonical SMILES |
NCC1CCN(CCC(=O)Nc2ccc(cc2)-c2cn3c(nn(-c4ccccc4)c3=O)c(N)n2)CC1
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| InChI |
InChI=1S/C26H30N8O2/c27-16-18-10-13-32(14-11-18)15-12-23(35)29-20-8-6-19(7-9-20)22-17-33-25(24(28)30-22)31-34(26(33)36)21-4-2-1-3-5-21/h1-9,17-18H,10-16,27H2,(H2,28,30)(H,29,35)
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| InChIKey |
JVIPLUYJZRXSCQ-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