General Information of the Compound
| Compound ID |
CP0374612
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| Compound Name |
2-Phenyl-2,5-dihydro-pyrazolo[4,3-c]quinoline-4-thione
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| Structure |
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| Formula |
C16H11N3S
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| Molecular Weight |
277.352
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| Canonical SMILES |
S=c1[nH]c2ccccc2c2nn(cc12)-c1ccccc1
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| InChI |
InChI=1S/C16H11N3S/c20-16-13-10-19(11-6-2-1-3-7-11)18-15(13)12-8-4-5-9-14(12)17-16/h1-10H,(H,17,20)
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| InChIKey |
GPZDEXVCMNVCGO-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