General Information of the Compound
| Compound ID |
CP0431708
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| Compound Name |
1-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C27H19F3N4O
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| Molecular Weight |
472.47
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| Canonical SMILES |
FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1
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| InChI |
InChI=1S/C27H19F3N4O/c28-27(29,30)20-9-5-11-22(14-20)34-26(35)33-21-10-4-8-18(12-21)24-16-32-25-23(24)13-19(15-31-25)17-6-2-1-3-7-17/h1-16H,(H,31,32)(H2,33,34,35)
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| InChIKey |
AMXYLFXYHCZHEV-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