General Information of the Compound
| Compound ID |
CP0904973
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| Compound Name |
N-(2,6-difluorophenyl)-5-(3-{2-[(3-{[2-(dimethylamino)ethyl]oxy}phenyl)-amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)-2-(methyloxy)benzamide
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| Structure |
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| Formula |
C35H31F2N7O3
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| Molecular Weight |
635.675
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| Canonical SMILES |
COc1ccc(-c2nc3ccccn3c2-c2ccnc(Nc3cccc(OCCN(C)C)c3)n2)cc1C(=O)Nc1c(F)cccc1F
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| InChI |
InChI=1S/C35H31F2N7O3/c1-43(2)18-19-47-24-9-6-8-23(21-24)39-35-38-16-15-28(40-35)33-31(41-30-12-4-5-17-44(30)33)22-13-14-29(46-3)25(20-22)34(45)42-32-26(36)10-7-11-27(32)37/h4-17,20-21H,18-19H2,1-3H3,(H,42,45)(H,38,39,40)
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| InChIKey |
BXXIOBDDCFIKNO-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