General Information of the Compound
| Compound ID |
CP0424321
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| Compound Name |
4-methoxy-N-(1-oxo-2-p-tolyl-1H-3,3,5,9b-tetraaza-cyclopenta[a]naphthalen-4-yl)-benzamide
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| Structure |
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| Formula |
C24H19N5O3
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| Molecular Weight |
425.448
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| Canonical SMILES |
COc1ccc(cc1)C(=O)Nc1nc2ccccc2n2n1nc(-c1ccc(C)cc1)c2=O
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| InChI |
InChI=1S/C24H19N5O3/c1-15-7-9-16(10-8-15)21-23(31)28-20-6-4-3-5-19(20)25-24(29(28)27-21)26-22(30)17-11-13-18(32-2)14-12-17/h3-14H,1-2H3,(H,25,26,30)
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| InChIKey |
DTSLXTFUHPGTTR-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