General Information of the Compound
| Compound ID |
CP0870983
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| Compound Name |
N-(2,6-difluorophenyl)-5-(3-{2-[(5-methyl-2-(methyloxy)-4-{4-[2-(methylsulfonyl)ethyl]-1-piperidinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)-2-(methyloxy)benzamide
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| Structure |
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| Formula |
C41H41F2N7O5S
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| Molecular Weight |
781.886
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| Canonical SMILES |
COc1cc(N2CCC(CCS(C)(=O)=O)CC2)c(C)cc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C41H41F2N7O5S/c1-25-22-32(35(55-3)24-33(25)49-19-14-26(15-20-49)16-21-56(4,52)53)46-41-44-17-13-31(45-41)39-37(47-36-10-5-6-18-50(36)39)27-11-12-34(54-2)28(23-27)40(51)48-38-29(42)8-7-9-30(38)43/h5-13,17-18,22-24,26H,14-16,19-21H2,1-4H3,(H,48,51)(H,44,45,46)
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| InChIKey |
IWWHGEYVMAYCBW-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