General Information of the Compound
| Compound ID |
CP0845849
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| Compound Name |
N-(2,6-difluorophenyl)-3-{3-[2-({2-(methyloxy)-4-[4-(1-piperidinylmethyl)-1-piperidinyl]phenyl}amino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl}benzamide
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| Structure |
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| Formula |
C42H42F2N8O2
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| Molecular Weight |
728.848
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| Canonical SMILES |
COc1cc(N2CCC(CN3CCCCC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C42H42F2N8O2/c1-54-36-26-31(51-23-17-28(18-24-51)27-50-20-4-2-5-21-50)14-15-34(36)46-42-45-19-16-35(47-42)40-38(48-37-13-3-6-22-52(37)40)29-9-7-10-30(25-29)41(53)49-39-32(43)11-8-12-33(39)44/h3,6-16,19,22,25-26,28H,2,4-5,17-18,20-21,23-24,27H2,1H3,(H,49,53)(H,45,46,47)
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| InChIKey |
OGRHUAFKUKPSBX-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