General Information of the Compound
| Compound ID |
CP0545348
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| Compound Name |
2-[4-[4-(4-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
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| Structure |
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| Formula |
C23H27FN4O2
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| Molecular Weight |
410.493
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| Canonical SMILES |
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
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| InChI |
InChI=1S/C23H27FN4O2/c1-27(2)22(29)14-28-10-7-15(8-11-28)20-13-19-17(6-9-25-23(19)26-20)18-5-4-16(24)12-21(18)30-3/h4-6,9,12-13,15H,7-8,10-11,14H2,1-3H3,(H,25,26)
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| InChIKey |
LHMXORQKQKBZRE-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