General Information of the Compound
| Compound ID |
CP0873433
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| Compound Name |
N-(2,6-difluorophenyl)-3-[3-(2-{[4-[4-(hexahydro-1H-azepin-1-yl)-1-piperidinyl]-2-(methyloxy)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(N3CCCCCC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C42H42F2N8O2/c1-54-36-27-31(51-24-18-30(19-25-51)50-21-5-2-3-6-22-50)15-16-34(36)46-42-45-20-17-35(47-42)40-38(48-37-14-4-7-23-52(37)40)28-10-8-11-29(26-28)41(53)49-39-32(43)12-9-13-33(39)44/h4,7-17,20,23,26-27,30H,2-3,5-6,18-19,21-22,24-25H2,1H3,(H,49,53)(H,45,46,47)
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| InChIKey |
UVBYWESJQMJCNU-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