General Information of the Compound
| Compound ID |
CP0912113
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| Compound Name |
3-[3-(2-{[4-(1,4'-bipiperidin-1'-yl)-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)-7-methylimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)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(N3CCCCC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3cc(C)ccn23)n1
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| InChI |
InChI=1S/C42H42F2N8O2/c1-27-15-23-52-37(24-27)48-38(28-8-6-9-29(25-28)41(53)49-39-32(43)10-7-11-33(39)44)40(52)35-14-18-45-42(47-35)46-34-13-12-31(26-36(34)54-2)51-21-16-30(17-22-51)50-19-4-3-5-20-50/h6-15,18,23-26,30H,3-5,16-17,19-22H2,1-2H3,(H,49,53)(H,45,46,47)
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| InChIKey |
VAGKEHAXSSOXOJ-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