General Information of the Compound
| Compound ID |
CP0914898
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| Compound Name |
N-(2,6-difluorophenyl)-3-[3-(2-{[4-[4-(1-methylethyl)-1-piperazinyl]-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C38H36F2N8O2
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| Molecular Weight |
674.756
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| Canonical SMILES |
COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C38H36F2N8O2/c1-24(2)46-18-20-47(21-19-46)27-13-14-30(32(23-27)50-3)42-38-41-16-15-31(43-38)36-34(44-33-12-4-5-17-48(33)36)25-8-6-9-26(22-25)37(49)45-35-28(39)10-7-11-29(35)40/h4-17,22-24H,18-21H2,1-3H3,(H,45,49)(H,41,42,43)
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| InChIKey |
AAYJEKJTXVXYTO-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