General Information of the Compound
| Compound ID |
CP0488106
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| Compound Name |
[6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-1-benzothiophen-3-yl]methanol
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| Structure |
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| Formula |
C27H26N4O2S
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| Molecular Weight |
470.598
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| Canonical SMILES |
CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc2c(CO)csc2c1
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| InChI |
InChI=1S/C27H26N4O2S/c1-31(2)13-14-33-22-6-3-19(4-7-22)27-29-25(18-9-11-28-12-10-18)26(30-27)20-5-8-23-21(16-32)17-34-24(23)15-20/h3-12,15,17,32H,13-14,16H2,1-2H3,(H,29,30)
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| InChIKey |
ZNAPCHMOBQJWHW-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