General Information of the Compound
| Compound ID |
CP0448933
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| Compound Name |
1-[6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-1-benzothiophen-3-yl]-2,2,3,3,3-pentafluoropropan-1-ol
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| Structure |
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| Formula |
C29H25F5N4O2S
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| Molecular Weight |
588.602
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| Canonical SMILES |
CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc2c(csc2c1)C(O)C(F)(F)C(F)(F)F
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| InChI |
InChI=1S/C29H25F5N4O2S/c1-38(2)13-14-40-20-6-3-18(4-7-20)27-36-24(17-9-11-35-12-10-17)25(37-27)19-5-8-21-22(16-41-23(21)15-19)26(39)28(30,31)29(32,33)34/h3-12,15-16,26,39H,13-14H2,1-2H3,(H,36,37)
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| InChIKey |
MRRAFIQTUKCGLD-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