General Information of the Compound
| Compound ID |
CP0895685
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| Compound Name |
N-(2,6-difluorophenyl)-3-(3-(2-(2-methyl-4-(1-(2-(methylsulfonyl)ethyl)piperidin-4-yloxy)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
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| Structure |
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| Formula |
C39H37F2N7O4S
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| Molecular Weight |
737.833
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| Canonical SMILES |
Cc1cc(OC2CCN(CCS(C)(=O)=O)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C39H37F2N7O4S/c1-25-23-29(52-28-15-19-47(20-16-28)21-22-53(2,50)51)12-13-32(25)43-39-42-17-14-33(44-39)37-35(45-34-11-3-4-18-48(34)37)26-7-5-8-27(24-26)38(49)46-36-30(40)9-6-10-31(36)41/h3-14,17-18,23-24,28H,15-16,19-22H2,1-2H3,(H,46,49)(H,42,43,44)
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| InChIKey |
GRXLBTDEMQIUOG-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