General Information of the Compound
| Compound ID |
CP0439089
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| Compound Name |
2-imino-N-[3-[4-[3-[(2-imino-8-methoxychromene-3-carbonyl)amino]propyl]piperazin-1-yl]propyl]-8-methoxychromene-3-carboxamide
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| Structure |
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| Formula |
C32H38N6O6
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| Molecular Weight |
602.692
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| Canonical SMILES |
COc1cccc2cc(C(=O)NCCCN3CCN(CCCNC(=O)c4cc5cccc(OC)c5oc4=N)CC3)c(=N)oc12
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| InChI |
InChI=1S/C32H38N6O6/c1-41-25-9-3-7-21-19-23(29(33)43-27(21)25)31(39)35-11-5-13-37-15-17-38(18-16-37)14-6-12-36-32(40)24-20-22-8-4-10-26(42-2)28(22)44-30(24)34/h3-4,7-10,19-20,33-34H,5-6,11-18H2,1-2H3,(H,35,39)(H,36,40)
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| InChIKey |
HFQZOXVLNQONST-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