General Information of the Compound
| Compound ID |
CP0417404
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| Compound Name |
methyl 2-[[3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-yl]amino]acetate
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| Structure |
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| Formula |
C13H15F3N6O3
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| Molecular Weight |
360.296
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| Canonical SMILES |
COC(=O)CNc1nc(nc2n(C[C@H]3CCCO3)nnc12)C(F)(F)F
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| InChI |
InChI=1S/C13H15F3N6O3/c1-24-8(23)5-17-10-9-11(19-12(18-10)13(14,15)16)22(21-20-9)6-7-3-2-4-25-7/h7H,2-6H2,1H3,(H,17,18,19)/t7-/m1/s1
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| InChIKey |
MXBAAFKMAHMRNR-SSDOTTSWSA-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