General Information of the Compound
| Compound ID |
CP0424462
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| Compound Name |
1,3-dibenzyl-1-(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)thiourea
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| Structure |
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| Formula |
C20H16ClN5S2
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| Molecular Weight |
425.97
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| Canonical SMILES |
Clc1ncnc2sc(nc12)N(Cc1ccccc1)C(=S)NCc1ccccc1
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| InChI |
InChI=1S/C20H16ClN5S2/c21-17-16-18(24-13-23-17)28-20(25-16)26(12-15-9-5-2-6-10-15)19(27)22-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,22,27)
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| InChIKey |
GMRJTVNCPZHTOX-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