General Information of the Compound
| Compound ID |
CP0514451
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| Compound Name |
1-(3-(5-(4-((2-(dimethylamino)ethyl)carbamoyl)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 |
C32H28F4N6O2
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| Molecular Weight |
604.608
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| Canonical SMILES |
CN(C)CCNC(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccc(cc4F)C(F)(F)F)c3)c2c1
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| InChI |
InChI=1S/C32H28F4N6O2/c1-42(2)13-12-37-30(43)20-8-6-19(7-9-20)22-15-25-26(18-39-29(25)38-17-22)21-4-3-5-24(14-21)40-31(44)41-28-11-10-23(16-27(28)33)32(34,35)36/h3-11,14-18H,12-13H2,1-2H3,(H,37,43)(H,38,39)(H2,40,41,44)
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| InChIKey |
OWJWKROFVJCUFG-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