General Information of the Compound
| Compound ID |
CP0504809
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| Compound Name |
5-[(3-fluorophenoxy)methyl]-3-(oxolan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C16H17FN6O2
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| Molecular Weight |
344.35
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| Canonical SMILES |
Nc1nc(COc2cccc(F)c2)nc2n(CC3CCCO3)nnc12
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| InChI |
InChI=1S/C16H17FN6O2/c17-10-3-1-4-11(7-10)25-9-13-19-15(18)14-16(20-13)23(22-21-14)8-12-5-2-6-24-12/h1,3-4,7,12H,2,5-6,8-9H2,(H2,18,19,20)
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| InChIKey |
CLHJTVWJSKDZPQ-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