General Information of the Compound
| Compound ID |
CP0295931
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| Compound Name |
1-(3-(5-(4-(aminomethyl)phenyl)-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 |
C28H21F4N5O
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| Molecular Weight |
519.502
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| Canonical SMILES |
NCc1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccc(cc4F)C(F)(F)F)c3)c2c1
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| InChI |
InChI=1S/C28H21F4N5O/c29-24-12-20(28(30,31)32)8-9-25(24)37-27(38)36-21-3-1-2-18(10-21)23-15-35-26-22(23)11-19(14-34-26)17-6-4-16(13-33)5-7-17/h1-12,14-15H,13,33H2,(H,34,35)(H2,36,37,38)
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| InChIKey |
RDNOLDWOMGZBPI-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