General Information of the Compound
| Compound ID |
CP0415545
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| Compound Name |
[(2S)-1-[2-(3-bromoanilino)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
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| Structure |
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| Formula |
C16H16BrN5OS
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| Molecular Weight |
406.309
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| Canonical SMILES |
OC[C@@H]1CCCN1c1ncnc2sc(Nc3cccc(Br)c3)nc12
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| InChI |
InChI=1S/C16H16BrN5OS/c17-10-3-1-4-11(7-10)20-16-21-13-14(18-9-19-15(13)24-16)22-6-2-5-12(22)8-23/h1,3-4,7,9,12,23H,2,5-6,8H2,(H,20,21)/t12-/m0/s1
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| InChIKey |
MFGADMHJBQHFPU-LBPRGKRZSA-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