General Information of the Compound
| Compound ID |
CP0899732
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| Compound Name |
N-(2,6-difluorophenyl)-3-(3-{2-[(4-{1-[2-(methylsulfonyl)ethyl]-4-piperidinyl}-2-propylphenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)benzamide
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| Structure |
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| Formula |
C41H41F2N7O3S
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| Molecular Weight |
749.888
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| Canonical SMILES |
CCCc1cc(C2CCN(CCS(C)(=O)=O)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C41H41F2N7O3S/c1-3-8-29-25-28(27-17-21-49(22-18-27)23-24-54(2,52)53)14-15-34(29)45-41-44-19-16-35(46-41)39-37(47-36-13-4-5-20-50(36)39)30-9-6-10-31(26-30)40(51)48-38-32(42)11-7-12-33(38)43/h4-7,9-16,19-20,25-27H,3,8,17-18,21-24H2,1-2H3,(H,48,51)(H,44,45,46)
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| InChIKey |
AUBXJOFOBJAUKI-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