General Information of the Compound
| Compound ID |
CP0506246
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| Compound Name |
1-benzyl-2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]benzimidazole
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| Structure |
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| Formula |
C23H23ClN6
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| Molecular Weight |
418.932
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| Canonical SMILES |
Clc1cnc(nc1)N1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1
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| InChI |
InChI=1S/C23H23ClN6/c24-19-14-25-23(26-15-19)29-12-10-28(11-13-29)17-22-27-20-8-4-5-9-21(20)30(22)16-18-6-2-1-3-7-18/h1-9,14-15H,10-13,16-17H2
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| InChIKey |
GBRGSWIULNXBMV-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