General Information of the Compound
| Compound ID |
CP0401607
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| Compound Name |
2-(4-Pyrimidin-2-yl-piperazin-1-ylmethyl)-1H-benzoimidazole
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| Structure |
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| Formula |
C16H18N6
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| Molecular Weight |
294.362
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| Canonical SMILES |
C(N1CCN(CC1)c1ncccn1)c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C16H18N6/c1-2-5-14-13(4-1)19-15(20-14)12-21-8-10-22(11-9-21)16-17-6-3-7-18-16/h1-7H,8-12H2,(H,19,20)
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| InChIKey |
XJHRQPODSUYKOJ-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