General Information of the Compound
| Compound ID |
CP0926165
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| Compound Name |
3-(3-{2-[(3-{[2-(dimethylamino)ethyl]oxy}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)-N-(2,4,6-trifluorophenyl)benzamide
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| Structure |
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| Formula |
C34H28F3N7O2
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| Molecular Weight |
623.639
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| Canonical SMILES |
CN(C)CCOc1cccc(Nc2nccc(-c3c(-c4cccc(C(=O)Nc5c(F)cc(F)cc5F)c4)nc4ccccn34)n2)c1
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| InChI |
InChI=1S/C34H28F3N7O2/c1-43(2)15-16-46-25-10-6-9-24(20-25)39-34-38-13-12-28(40-34)32-30(41-29-11-3-4-14-44(29)32)21-7-5-8-22(17-21)33(45)42-31-26(36)18-23(35)19-27(31)37/h3-14,17-20H,15-16H2,1-2H3,(H,42,45)(H,38,39,40)
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| InChIKey |
WTWCKEAQEJKCEA-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