General Information of the Compound
| Compound ID |
CP0568846
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| Compound Name |
1-[4-(4-benzhydrylpiperazin-1-yl)butyl]-5,6-dimethylbenzimidazole
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| Structure |
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| Formula |
C30H36N4
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| Molecular Weight |
452.646
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| Canonical SMILES |
Cc1cc2ncn(CCCCN3CCN(CC3)C(c3ccccc3)c3ccccc3)c2cc1C
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| InChI |
InChI=1S/C30H36N4/c1-24-21-28-29(22-25(24)2)34(23-31-28)16-10-9-15-32-17-19-33(20-18-32)30(26-11-5-3-6-12-26)27-13-7-4-8-14-27/h3-8,11-14,21-23,30H,9-10,15-20H2,1-2H3
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| InChIKey |
ZOUPOIGLNKBNHX-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