General Information of the Compound
| Compound ID |
CP0513132
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| Compound Name |
methyl 2-[7-amino-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-5-yl]acetate
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| Structure |
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| Formula |
C13H18N6O3
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| Molecular Weight |
306.326
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| Canonical SMILES |
COC(=O)Cc1nc(N)c2nnn(CC3CCCCO3)c2n1
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| InChI |
InChI=1S/C13H18N6O3/c1-21-10(20)6-9-15-12(14)11-13(16-9)19(18-17-11)7-8-4-2-3-5-22-8/h8H,2-7H2,1H3,(H2,14,15,16)
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| InChIKey |
WRPUOQHEYNJZDF-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