General Information of the Compound
| Compound ID |
CP0845845
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| Compound Name |
N-(2,6-difluorophenyl)-5-(3-{2-[(5-methyl-2-(methyloxy)-4-{4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)-2-(methyloxy)benzamide
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| Structure |
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| Formula |
C43H45F2N9O5S
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| Molecular Weight |
837.954
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| Canonical SMILES |
COc1cc(N2CCC(N3CCN(S(C)(=O)=O)CC3)CC2)c(C)cc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C43H45F2N9O5S/c1-27-24-34(37(59-3)26-35(27)52-18-14-29(15-19-52)51-20-22-53(23-21-51)60(4,56)57)48-43-46-16-13-33(47-43)41-39(49-38-10-5-6-17-54(38)41)28-11-12-36(58-2)30(25-28)42(55)50-40-31(44)8-7-9-32(40)45/h5-13,16-17,24-26,29H,14-15,18-23H2,1-4H3,(H,50,55)(H,46,47,48)
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| InChIKey |
ZOOGGHBABIUELM-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