General Information of the Compound
| Compound ID |
CP0191989
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| Compound Name |
2-(4-tert-butylphenyl)-4-(4-((1,2-dimethyl-1H-imidazol-4-yl)methyl)piperazin-1-yl)-1H-benzo[d]imidazole
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| Structure |
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| Formula |
C27H34N6
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| Molecular Weight |
442.611
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| Canonical SMILES |
Cc1nc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)cn1C
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| InChI |
InChI=1S/C27H34N6/c1-19-28-22(17-31(19)5)18-32-13-15-33(16-14-32)24-8-6-7-23-25(24)30-26(29-23)20-9-11-21(12-10-20)27(2,3)4/h6-12,17H,13-16,18H2,1-5H3,(H,29,30)
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| InChIKey |
XAMFWKCBBGLQSI-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