General Information of the Compound
| Compound ID |
CP0571329
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| Compound Name |
4-[4-(hydroxymethyl)triazol-1-yl]benzonitrile
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| Structure |
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| Formula |
C10H8N4O
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| Molecular Weight |
200.201
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| Canonical SMILES |
OCc1cn(nn1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C10H8N4O/c11-5-8-1-3-10(4-2-8)14-6-9(7-15)12-13-14/h1-4,6,15H,7H2
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| InChIKey |
XDOVLYBJGJLNMR-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