General Information of the Compound
| Compound ID |
CP0431005
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| Compound Name |
N-[4-(furan-2-yl)-11-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2-phenylacetamide
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| Structure |
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| Formula |
C26H21N7O2
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| Molecular Weight |
463.501
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| Canonical SMILES |
O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C26H21N7O2/c34-22(16-19-10-5-2-6-11-19)27-26-29-23-20(17-32(30-23)14-13-18-8-3-1-4-9-18)25-28-24(31-33(25)26)21-12-7-15-35-21/h1-12,15,17H,13-14,16H2,(H,27,29,30,34)
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| InChIKey |
NNKNPNUOGFMYAG-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