General Information of the Compound
| Compound ID |
CP0384790
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| Compound Name |
N,N-dimethyl-2-[4-[4-[4-(4-methyl-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 |
C28H28N6O
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| Molecular Weight |
464.573
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| Canonical SMILES |
CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(cc1)-c1n[nH]cc1C
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| InChI |
InChI=1S/C28H28N6O/c1-19-18-30-33-25(19)20-4-6-21(7-5-20)26-27(22-12-14-29-15-13-22)32-28(31-26)23-8-10-24(11-9-23)35-17-16-34(2)3/h4-15,18H,16-17H2,1-3H3,(H,30,33)(H,31,32)
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| InChIKey |
OZTCFCKRZZWTHY-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