General Information of the Compound
| Compound ID |
CP0407702
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| Compound Name |
2-[4-[4-(2,4-dihydroindeno[1,2-d]triazol-6-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylethanamine
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| Structure |
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| Formula |
C27H25N7O
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| Molecular Weight |
463.545
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| Canonical SMILES |
CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc-2c(Cc3nn[nH]c-23)c1
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| InChI |
InChI=1S/C27H25N7O/c1-34(2)13-14-35-21-6-3-18(4-7-21)27-29-24(17-9-11-28-12-10-17)25(30-27)19-5-8-22-20(15-19)16-23-26(22)32-33-31-23/h3-12,15H,13-14,16H2,1-2H3,(H,29,30)(H,31,32,33)
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| InChIKey |
SXHGHJDUEYJWBZ-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