General Information of the Compound
| Compound ID |
CP0577227
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| Compound Name |
N-(3,5-difluorophenyl)-3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide
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| Structure |
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| Formula |
C22H17F2N3O
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| Molecular Weight |
377.394
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| Canonical SMILES |
Fc1cc(F)cc(NC(=O)CCc2cccc(c2)-c2cnc3[nH]ccc3c2)c1
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| InChI |
InChI=1S/C22H17F2N3O/c23-18-10-19(24)12-20(11-18)27-21(28)5-4-14-2-1-3-15(8-14)17-9-16-6-7-25-22(16)26-13-17/h1-3,6-13H,4-5H2,(H,25,26)(H,27,28)
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| InChIKey |
ZEEOXLPFSJJQMJ-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