General Information of the Compound
| Compound ID |
CP0888394
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| Compound Name |
N-(2,6-difluorophenyl)-3-[3-(2-{[4-{5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl}-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C36H29F2N9O3
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| Molecular Weight |
673.684
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| Canonical SMILES |
COc1cc(-c2nnc(CN(C)C)o2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C36H29F2N9O3/c1-46(2)20-30-44-45-35(50-30)23-13-14-26(28(19-23)49-3)40-36-39-16-15-27(41-36)33-31(42-29-12-4-5-17-47(29)33)21-8-6-9-22(18-21)34(48)43-32-24(37)10-7-11-25(32)38/h4-19H,20H2,1-3H3,(H,43,48)(H,39,40,41)
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| InChIKey |
HAANAGIFGHDJLU-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