General Information of the Compound
| Compound ID |
CP0888395
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| Compound Name |
3-[3-(2-{[4-(1,4'-bipiperidin-1'-yl)-2-propylphenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide
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| Structure |
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| Formula |
C43H44F2N8O
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| Molecular Weight |
726.876
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| Canonical SMILES |
CCCc1cc(N2CCC(N3CCCCC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C43H44F2N8O/c1-2-10-29-28-33(52-25-19-32(20-26-52)51-22-5-3-6-23-51)16-17-36(29)47-43-46-21-18-37(48-43)41-39(49-38-15-4-7-24-53(38)41)30-11-8-12-31(27-30)42(54)50-40-34(44)13-9-14-35(40)45/h4,7-9,11-18,21,24,27-28,32H,2-3,5-6,10,19-20,22-23,25-26H2,1H3,(H,50,54)(H,46,47,48)
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| InChIKey |
IJBMUUYVEUCISL-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