General Information of the Compound
| Compound ID |
CP0904974
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| Compound Name |
3-(3-(2-(3-(2-(dimethylamino)ethoxy)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)-N-(2-fluoro-5-(trifluoromethyl)phenyl)benzamide
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| Structure |
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| Formula |
C35H29F4N7O2
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| Molecular Weight |
655.656
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| Canonical SMILES |
CN(C)CCOc1cccc(Nc2nccc(-c3c(-c4cccc(C(=O)Nc5cc(C(F)(F)F)ccc5F)c4)nc4ccccn34)n2)c1
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| InChI |
InChI=1S/C35H29F4N7O2/c1-45(2)17-18-48-26-10-6-9-25(21-26)41-34-40-15-14-28(43-34)32-31(44-30-11-3-4-16-46(30)32)22-7-5-8-23(19-22)33(47)42-29-20-24(35(37,38)39)12-13-27(29)36/h3-16,19-21H,17-18H2,1-2H3,(H,42,47)(H,40,41,43)
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| InChIKey |
ZQOJOCBLMULSIQ-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
Protein ID: PT01101, Insulin receptor
Protein ID: PT01104, Insulin-like growth factor 1 receptor