General Information of the Compound
| Compound ID |
CP0506123
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| Compound Name |
1-(3-(5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl)-3-(2-fluoro-4-(trifluoromethyl)phenyl)urea
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| Structure |
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| Formula |
C29H22F4N4O3
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| Molecular Weight |
550.512
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| Canonical SMILES |
COc1ccc(cc1OC)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccc(cc4F)C(F)(F)F)c3)c2c1
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| InChI |
InChI=1S/C29H22F4N4O3/c1-39-25-9-6-16(12-26(25)40-2)18-11-21-22(15-35-27(21)34-14-18)17-4-3-5-20(10-17)36-28(38)37-24-8-7-19(13-23(24)30)29(31,32)33/h3-15H,1-2H3,(H,34,35)(H2,36,37,38)
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| InChIKey |
DBGGEZRNKYSCMN-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