General Information of the Compound
Compound ID |
CP0409438
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Compound Name |
2-imino-N-[3-[(2-imino-8-methoxychromene-3-carbonyl)amino]propyl]-8-methoxychromene-3-carboxamide
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Structure |
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Formula |
C25H24N4O6
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Molecular Weight |
476.489
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Canonical SMILES |
COc1cccc2cc(C(=O)NCCCNC(=O)c3cc4cccc(OC)c4oc3=N)c(=N)oc12
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InChI |
InChI=1S/C25H24N4O6/c1-32-18-8-3-6-14-12-16(22(26)34-20(14)18)24(30)28-10-5-11-29-25(31)17-13-15-7-4-9-19(33-2)21(15)35-23(17)27/h3-4,6-9,12-13,26-27H,5,10-11H2,1-2H3,(H,28,30)(H,29,31)
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InChIKey |
RDILGXZZHKVVQM-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b