General Information of the Compound
| Compound ID |
CP0557838
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| Compound Name |
2-[7-amino-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-5-yl]acetic acid
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| Structure |
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| Formula |
C12H16N6O3
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| Molecular Weight |
292.299
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| Canonical SMILES |
Nc1nc(CC(O)=O)nc2n(CC3CCCCO3)nnc12
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| InChI |
InChI=1S/C12H16N6O3/c13-11-10-12(15-8(14-11)5-9(19)20)18(17-16-10)6-7-3-1-2-4-21-7/h7H,1-6H2,(H,19,20)(H2,13,14,15)
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| InChIKey |
RXYVSDPSAZRHLX-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