General Information of the Compound
| Compound ID |
CP0431056
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| Compound Name |
1-(2-fluoro-4-(trifluoromethyl)phenyl)-3-(3-(5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl)urea
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| Structure |
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| Formula |
C27H17F5N4O
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| Molecular Weight |
508.45
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| Canonical SMILES |
Fc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccc(cc4F)C(F)(F)F)c3)c2c1
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| InChI |
InChI=1S/C27H17F5N4O/c28-19-5-1-3-15(9-19)17-11-21-22(14-34-25(21)33-13-17)16-4-2-6-20(10-16)35-26(37)36-24-8-7-18(12-23(24)29)27(30,31)32/h1-14H,(H,33,34)(H2,35,36,37)
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| InChIKey |
XKYIYABBTWYNEZ-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