General Information of the Compound
| Compound ID |
CP0548760
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| Compound Name |
3-prop-2-enyl-2-(pyridin-2-ylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one
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| Structure |
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| Formula |
C19H16N4OS
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| Molecular Weight |
348.431
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| Canonical SMILES |
C=CCn1c(SCc2ccccn2)nc2c3ccccc3[nH]c2c1=O
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| InChI |
InChI=1S/C19H16N4OS/c1-2-11-23-18(24)17-16(14-8-3-4-9-15(14)21-17)22-19(23)25-12-13-7-5-6-10-20-13/h2-10,21H,1,11-12H2
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| InChIKey |
CXDFGCDSDWYBPS-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