General Information of the Compound
| Compound ID |
CP0845783
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| Compound Name |
N-(2,6-difluorophenyl)-2-(ethyloxy)-5-[3-(2-{[2-(ethyloxy)-4-(1-propyl-4-piperidinyl)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C42H43F2N7O3
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| Molecular Weight |
731.848
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| Canonical SMILES |
CCCN1CCC(c2ccc(Nc3nccc(-c4c(-c5ccc(OCC)c(C(=O)Nc6c(F)cccc6F)c5)nc5ccccn45)n3)c(OCC)c2)CC1
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| InChI |
InChI=1S/C42H43F2N7O3/c1-4-21-50-23-18-27(19-24-50)28-13-15-33(36(26-28)54-6-3)46-42-45-20-17-34(47-42)40-38(48-37-12-7-8-22-51(37)40)29-14-16-35(53-5-2)30(25-29)41(52)49-39-31(43)10-9-11-32(39)44/h7-17,20,22,25-27H,4-6,18-19,21,23-24H2,1-3H3,(H,49,52)(H,45,46,47)
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| InChIKey |
WSNNKSMPKZCYGG-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