General Information of the Compound
| Compound ID |
CP0204631
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| Compound Name |
1-[(1S,2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]-1,2,4-triazole-3-carboxamide
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| Structure |
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| Formula |
C10H14N4O4
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| Molecular Weight |
254.246
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| Canonical SMILES |
NC(=O)c1ncn(n1)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C10H14N4O4/c11-8(18)9-12-3-14(13-9)5-4-1-10(4,2-15)7(17)6(5)16/h3-7,15-17H,1-2H2,(H2,11,18)/t4-,5-,6+,7+,10+/m1/s1
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| InChIKey |
NBDHEWVPZVSZLX-GEKCLDMMSA-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
Protein ID: PT00840, Adenosine receptor A1
Cell-based Assay
Protein ID: PT05020, Adenosine receptor A1