General Information of the Compound
| Compound ID |
CP0436269
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| Compound Name |
N-[(4-methoxyphenyl)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 |
C18H19F3N6O2
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| Molecular Weight |
408.384
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| Canonical SMILES |
COc1ccc(CNc2nc(nc3n(C[C@H]4CCCO4)nnc23)C(F)(F)F)cc1
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| InChI |
InChI=1S/C18H19F3N6O2/c1-28-12-6-4-11(5-7-12)9-22-15-14-16(24-17(23-15)18(19,20)21)27(26-25-14)10-13-3-2-8-29-13/h4-7,13H,2-3,8-10H2,1H3,(H,22,23,24)/t13-/m1/s1
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| InChIKey |
XBNXQOBGOPVJPV-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