General Information of the Compound
| Compound ID |
CP0437653
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| Compound Name |
N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
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| Structure |
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| Formula |
C26H30N8O3
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| Molecular Weight |
502.579
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| Canonical SMILES |
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)CCN2CCN(CCO)CC2)cc1
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| InChI |
InChI=1S/C26H30N8O3/c27-24-25-30-34(21-4-2-1-3-5-21)26(37)33(25)18-22(29-24)19-6-8-20(9-7-19)28-23(36)10-11-31-12-14-32(15-13-31)16-17-35/h1-9,18,35H,10-17H2,(H2,27,29)(H,28,36)
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| InChIKey |
YJXRUDJEAHAFSB-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