General Information of the Compound
| Compound ID |
CP0579077
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| Compound Name |
1-[4-[4-(4-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone
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| Structure |
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| Formula |
C21H22FN3O2
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| Molecular Weight |
367.424
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| Canonical SMILES |
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C21H22FN3O2/c1-13(26)25-9-6-14(7-10-25)19-12-18-16(5-8-23-21(18)24-19)17-4-3-15(22)11-20(17)27-2/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,23,24)
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| InChIKey |
RFAZOWNKGXUELJ-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