General Information of the Compound
| Compound ID |
CP0410738
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| Compound Name |
N-[(5-ethylpyridin-2-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C18H20F3N7O
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| Molecular Weight |
407.4
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| Canonical SMILES |
CCc1ccc(CNc2nc(nc3n(C[C@H]4CCCO4)nnc23)C(F)(F)F)nc1
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| InChI |
InChI=1S/C18H20F3N7O/c1-2-11-5-6-12(22-8-11)9-23-15-14-16(25-17(24-15)18(19,20)21)28(27-26-14)10-13-4-3-7-29-13/h5-6,8,13H,2-4,7,9-10H2,1H3,(H,23,24,25)/t13-/m1/s1
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| InChIKey |
VJGFKZYGVUNLSX-CYBMUJFWSA-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