General Information of the Compound
| Compound ID |
CP0845781
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| Compound Name |
N-(2,6-difluorophenyl)-3-{3-[2-({2-(methyloxy)-4-[4-(methyloxy)-1-piperidinyl]phenyl}-amino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl}benzamide
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| Structure |
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| Formula |
C37H33F2N7O3
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| Molecular Weight |
661.713
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| Canonical SMILES |
COc1cc(N2CCC(OC)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C37H33F2N7O3/c1-48-26-15-19-45(20-16-26)25-12-13-29(31(22-25)49-2)41-37-40-17-14-30(42-37)35-33(43-32-11-3-4-18-46(32)35)23-7-5-8-24(21-23)36(47)44-34-27(38)9-6-10-28(34)39/h3-14,17-18,21-22,26H,15-16,19-20H2,1-2H3,(H,44,47)(H,40,41,42)
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| InChIKey |
KIIVREBRPAALRW-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