General Information of the Compound
| Compound ID |
CP0471629
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| Compound Name |
2-[4-[4-(1,4-dihydroindeno[1,2-c]pyrazol-6-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylethanamine
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| Structure |
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| Formula |
C28H26N6O
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| Molecular Weight |
462.557
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| Canonical SMILES |
CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc-2c(Cc3cn[nH]c-23)c1
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| InChI |
InChI=1S/C28H26N6O/c1-34(2)13-14-35-23-6-3-19(4-7-23)28-31-26(18-9-11-29-12-10-18)27(32-28)20-5-8-24-21(15-20)16-22-17-30-33-25(22)24/h3-12,15,17H,13-14,16H2,1-2H3,(H,30,33)(H,31,32)
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| InChIKey |
IMYUAOCJILGNAK-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