General Information of the Compound
| Compound ID |
CP0390257
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| Compound Name |
2-phenyl-N-[4-phenyl-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]acetamide
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| Structure |
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| Formula |
C28H23N7O
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| Molecular Weight |
473.54
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| Canonical SMILES |
O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1
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| InChI |
InChI=1S/C28H23N7O/c36-24(18-21-12-6-2-7-13-21)29-28-31-26-23(19-34(32-26)17-16-20-10-4-1-5-11-20)27-30-25(33-35(27)28)22-14-8-3-9-15-22/h1-15,19H,16-18H2,(H,29,31,32,36)
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| InChIKey |
JQRNGVKMZOUSEZ-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