General Information of the Compound
| Compound ID |
CP0008997
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| Compound Name |
4-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]phenol
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| Structure |
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| Formula |
C15H18N4O
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| Molecular Weight |
270.336
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| Canonical SMILES |
Oc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2
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| InChI |
InChI=1S/C15H18N4O/c20-13-3-1-11(2-4-13)14-9-19(17-16-14)15-10-18-7-5-12(15)6-8-18/h1-4,9,12,15,20H,5-8,10H2/t15-/m0/s1
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| InChIKey |
ZRCMYKLGYHVJGO-HNNXBMFYSA-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