General Information of the Compound
| Compound ID |
CP0870973
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| Compound Name |
N-(2,6-difluorophenyl)-5-(7-fluoro-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 |
C41H40F3N7O5S
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| Molecular Weight |
799.876
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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)nc3cc(F)ccn23)n1
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| InChI |
InChI=1S/C41H40F3N7O5S/c1-24-20-32(35(56-3)23-33(24)50-16-11-25(12-17-50)14-19-57(4,53)54)47-41-45-15-10-31(46-41)39-37(48-36-22-27(42)13-18-51(36)39)26-8-9-34(55-2)28(21-26)40(52)49-38-29(43)6-5-7-30(38)44/h5-10,13,15,18,20-23,25H,11-12,14,16-17,19H2,1-4H3,(H,49,52)(H,45,46,47)
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| InChIKey |
OTMVHGFNBPEEJU-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