General Information of the Compound
| Compound ID |
CP0502127
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| Compound Name |
2-[4-(1H-Benzoimidazol-2-ylmethyl)-piperazin-1-yl]-nicotinonitrile
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| Structure |
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| Formula |
C18H18N6
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| Molecular Weight |
318.384
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| Canonical SMILES |
N#Cc1cccnc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
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| InChI |
InChI=1S/C18H18N6/c19-12-14-4-3-7-20-18(14)24-10-8-23(9-11-24)13-17-21-15-5-1-2-6-16(15)22-17/h1-7H,8-11,13H2,(H,21,22)
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| InChIKey |
HSEIIOCMMFLOGG-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