General Information of the Compound
| Compound ID |
CP0545374
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| Compound Name |
5-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-1H-pyrazole-4-carbonitrile
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| Structure |
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| Formula |
C28H25N7O
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| Molecular Weight |
475.556
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| Canonical SMILES |
CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(cc1)-c1n[nH]cc1C#N
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| InChI |
InChI=1S/C28H25N7O/c1-35(2)15-16-36-24-9-7-22(8-10-24)28-32-26(27(33-28)21-11-13-30-14-12-21)20-5-3-19(4-6-20)25-23(17-29)18-31-34-25/h3-14,18H,15-16H2,1-2H3,(H,31,34)(H,32,33)
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| InChIKey |
SOMCZXLNCDZWNK-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