General Information of the Compound
| Compound ID |
CP0921735
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| Compound Name |
N-(2,6-difluorophenyl)-5-(3-{2-[(2-(ethyloxy)-4-{1-[2-(methylsulfonyl)ethyl]-4-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 |
CCOc1cc(C2CCN(CCS(C)(=O)=O)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C41H41F2N7O5S/c1-4-55-35-25-27(26-16-20-49(21-17-26)22-23-56(3,52)53)11-13-32(35)45-41-44-18-15-33(46-41)39-37(47-36-10-5-6-19-50(36)39)28-12-14-34(54-2)29(24-28)40(51)48-38-30(42)8-7-9-31(38)43/h5-15,18-19,24-26H,4,16-17,20-23H2,1-3H3,(H,48,51)(H,44,45,46)
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| InChIKey |
HXYCEOXPTZRFOX-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