General Information of the Compound
| Compound ID |
CP0439585
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| Compound Name |
2-[4-(1H-Benzoimidazol-2-ylmethyl)-piperazin-1-yl]-benzonitrile
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| Structure |
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| Formula |
C19H19N5
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| Molecular Weight |
317.396
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| Canonical SMILES |
N#Cc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
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| InChI |
InChI=1S/C19H19N5/c20-13-15-5-1-4-8-18(15)24-11-9-23(10-12-24)14-19-21-16-6-2-3-7-17(16)22-19/h1-8H,9-12,14H2,(H,21,22)
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| InChIKey |
FXHHMDYNRLYBIP-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