General Information of the Compound
| Compound ID |
CP0410464
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| Compound Name |
11-benzyl-13-cyclopentyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one
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| Structure |
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| Formula |
C26H23N5O
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| Molecular Weight |
421.504
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| Canonical SMILES |
O=c1n(Cc2ccccc2)nc(C2CCCC2)c2c3cc(nn3cnc12)-c1ccccc1
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| InChI |
InChI=1S/C26H23N5O/c32-26-25-23(22-15-21(28-31(22)17-27-25)19-11-5-2-6-12-19)24(20-13-7-8-14-20)29-30(26)16-18-9-3-1-4-10-18/h1-6,9-12,15,17,20H,7-8,13-14,16H2
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| InChIKey |
ZEWYSXWXUBWGAG-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: PT01279, Adenosine receptor A3