General Information of the Compound
| Compound ID |
CP0577482
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| Compound Name |
5-[2-[1-(2,2-difluoroethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-propan-2-ylpyridin-2-one
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| Structure |
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| Formula |
C22H26F2N4O
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| Molecular Weight |
400.473
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| Canonical SMILES |
CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(F)F)CC1
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| InChI |
InChI=1S/C22H26F2N4O/c1-14(2)28-12-16(3-4-21(28)29)17-5-8-25-22-18(17)11-19(26-22)15-6-9-27(10-7-15)13-20(23)24/h3-5,8,11-12,14-15,20H,6-7,9-10,13H2,1-2H3,(H,25,26)
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| InChIKey |
ROGIRJZRHAGBLY-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