General Information of the Compound
| Compound ID |
CP0377526
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| Compound Name |
N-[4-(furan-2-yl)-11-(3-phenylpropyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2-phenoxyacetamide
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| Structure |
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| Formula |
C27H23N7O3
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| Molecular Weight |
493.527
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| Canonical SMILES |
O=C(COc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C27H23N7O3/c35-23(18-37-20-12-5-2-6-13-20)28-27-30-24-21(26-29-25(32-34(26)27)22-14-8-16-36-22)17-33(31-24)15-7-11-19-9-3-1-4-10-19/h1-6,8-10,12-14,16-17H,7,11,15,18H2,(H,28,30,31,35)
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| InChIKey |
DSJNSMNLGNQEBL-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