General Information of the Compound
| Compound ID |
CP0506248
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| Compound Name |
2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1H-benzimidazole
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| Structure |
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| Formula |
C16H17ClN6
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| Molecular Weight |
328.807
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| Canonical SMILES |
Clc1cnc(nc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
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| InChI |
InChI=1S/C16H17ClN6/c17-12-9-18-16(19-10-12)23-7-5-22(6-8-23)11-15-20-13-3-1-2-4-14(13)21-15/h1-4,9-10H,5-8,11H2,(H,20,21)
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| InChIKey |
HTVPXZZWROAGAU-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