General Information of the Compound
| Compound ID |
CP0492152
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| Compound Name |
3-(1H-imidazol-4-ylmethyl)benzonitrile
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| Structure |
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| Formula |
C11H9N3
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| Molecular Weight |
183.214
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| Canonical SMILES |
N#Cc1cccc(Cc2cnc[nH]2)c1
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| InChI |
InChI=1S/C11H9N3/c12-6-10-3-1-2-9(4-10)5-11-7-13-8-14-11/h1-4,7-8H,5H2,(H,13,14)
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| InChIKey |
YMVDRTGZDZIUGC-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