General Information of the Compound
| Compound ID |
CP0211626
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| Compound Name |
2-(4-tert-butylphenyl)-4-(4-((1,2-diethyl-5-methyl-1H-imidazol-4-yl)methyl)piperazin-1-yl)-1H-benzo[d]imidazole
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| Structure |
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| Formula |
C30H40N6
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| Molecular Weight |
484.692
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| Canonical SMILES |
CCc1nc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)c(C)n1CC
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| InChI |
InChI=1S/C30H40N6/c1-7-27-31-25(21(3)36(27)8-2)20-34-16-18-35(19-17-34)26-11-9-10-24-28(26)33-29(32-24)22-12-14-23(15-13-22)30(4,5)6/h9-15H,7-8,16-20H2,1-6H3,(H,32,33)
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| InChIKey |
XITZFKMHZPUYRC-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