General Information of the Compound
| Compound ID |
CP0483161
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| Compound Name |
2-amino-4-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
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| Structure |
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| Formula |
C17H15N3O2
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| Molecular Weight |
293.326
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| Canonical SMILES |
Nc1nc2CCCCc2c(-c2ccc3OCOc3c2)c1C#N
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| InChI |
InChI=1S/C17H15N3O2/c18-8-12-16(10-5-6-14-15(7-10)22-9-21-14)11-3-1-2-4-13(11)20-17(12)19/h5-7H,1-4,9H2,(H2,19,20)
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| InChIKey |
XLHNDQCQIVHZLN-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