General Information of the Compound
| Compound ID |
CP0913020
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| Compound Name |
N-(2,6-difluorophenyl)-3-[3-(2-{[2-(ethyloxy)-4-(4-propyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C39H38F2N8O2
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| Molecular Weight |
688.783
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| Canonical SMILES |
CCCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6c(F)cccc6F)c5)nc5ccccn45)n3)c(OCC)c2)CC1
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| InChI |
InChI=1S/C39H38F2N8O2/c1-3-18-47-20-22-48(23-21-47)28-14-15-31(33(25-28)51-4-2)43-39-42-17-16-32(44-39)37-35(45-34-13-5-6-19-49(34)37)26-9-7-10-27(24-26)38(50)46-36-29(40)11-8-12-30(36)41/h5-17,19,24-25H,3-4,18,20-23H2,1-2H3,(H,46,50)(H,42,43,44)
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| InChIKey |
WTZZACMDNGPGTM-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