General Information of the Compound
| Compound ID |
CP0898624
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| Compound Name |
2-(5-(difluoromethyl)furan-2-yl)-6-(((2R,6S)-2,6-dimethylpiperidin-1-yl)methyl)thieno[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C19H22F2N4OS
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| Molecular Weight |
392.475
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| Canonical SMILES |
C[C@@H]1CCC[C@H](C)N1Cc1cc2c(N)nc(-c3ccc(C(F)F)o3)nc2s1
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| InChI |
InChI=1S/C19H22F2N4OS/c1-10-4-3-5-11(2)25(10)9-12-8-13-17(22)23-18(24-19(13)27-12)15-7-6-14(26-15)16(20)21/h6-8,10-11,16H,3-5,9H2,1-2H3,(H2,22,23,24)/t10-,11+
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| InChIKey |
XJZUTGSOPFAJOW-PHIMTYICSA-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