General Information of the Compound
| Compound ID |
CP0473053
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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-phenylpiperazin-1-yl)propanamide
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| Structure |
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| Formula |
C30H30N8O2
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| Molecular Weight |
534.624
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| Canonical SMILES |
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)CCN2CCN(CC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C30H30N8O2/c31-28-29-34-38(25-9-5-2-6-10-25)30(40)37(29)21-26(33-28)22-11-13-23(14-12-22)32-27(39)15-16-35-17-19-36(20-18-35)24-7-3-1-4-8-24/h1-14,21H,15-20H2,(H2,31,33)(H,32,39)
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| InChIKey |
RWFMYYXACNBSLA-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