General Information of the Compound
| Compound ID |
CP0848470
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| Compound Name |
N-(2,6-difluorophenyl)-3-[3-(2-{[4-{4-[4-(2-fluoroethyl)-1-piperazinyl]-1-piperidinyl}-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)-7-(methyloxy)imidazo[1,2-a]pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C43H44F3N9O3
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| Molecular Weight |
791.879
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| Canonical SMILES |
COc1ccn2c(-c3ccnc(Nc4ccc(N5CCC(N6CCN(CCF)CC6)CC5)cc4OC)n3)c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc2c1
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| InChI |
InChI=1S/C43H44F3N9O3/c1-57-32-14-19-55-38(27-32)50-39(28-5-3-6-29(25-28)42(56)51-40-33(45)7-4-8-34(40)46)41(55)36-11-16-47-43(49-36)48-35-10-9-31(26-37(35)58-2)53-17-12-30(13-18-53)54-23-21-52(20-15-44)22-24-54/h3-11,14,16,19,25-27,30H,12-13,15,17-18,20-24H2,1-2H3,(H,51,56)(H,47,48,49)
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| InChIKey |
LZDAHYSWEQKIOI-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