General Information of the Compound
| Compound ID |
CP0479283
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| Compound Name |
N,N-dimethyl-2-[4-[4-[4-(1H-pyrazol-5-yl)phenyl]-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine
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| Structure |
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| Formula |
C27H26N6O
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| Molecular Weight |
450.546
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| Canonical SMILES |
CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(cc1)-c1cc[nH]n1
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| InChI |
InChI=1S/C27H26N6O/c1-33(2)17-18-34-23-9-7-22(8-10-23)27-30-25(26(31-27)21-11-14-28-15-12-21)20-5-3-19(4-6-20)24-13-16-29-32-24/h3-16H,17-18H2,1-2H3,(H,29,32)(H,30,31)
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| InChIKey |
ZBZMAQIIJNNGCG-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