General Information of the Compound
| Compound ID |
CP0467092
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| Compound Name |
2-[5-(difluoromethyl)furan-2-yl]-6-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C19H15F2N3O2S
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| Molecular Weight |
387.411
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| Canonical SMILES |
COc1ccccc1Cc1cc2c(N)nc(nc2s1)-c1ccc(o1)C(F)F
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| InChI |
InChI=1S/C19H15F2N3O2S/c1-25-13-5-3-2-4-10(13)8-11-9-12-17(22)23-18(24-19(12)27-11)15-7-6-14(26-15)16(20)21/h2-7,9,16H,8H2,1H3,(H2,22,23,24)
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| InChIKey |
UAGQRYJXRUJZTP-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