General Information of the Compound
| Compound ID |
CP0913019
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| Compound Name |
N-(2,6-difluorophenyl)-5-[3-(2-{[4-[(3S)-3-hydroxy-1,4'-bipiperidin-1'-yl]-2-(methyloxy)-phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-2-(methyloxy)benzamide
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| Structure |
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| Formula |
C42H42F2N8O4
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| Molecular Weight |
760.846
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| Canonical SMILES |
COc1cc(N2CCC(N3CCC[C@H](O)C3)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C42H42F2N8O4/c1-55-35-14-11-26(23-30(35)41(54)49-39-31(43)8-5-9-32(39)44)38-40(52-20-4-3-10-37(52)48-38)34-15-18-45-42(47-34)46-33-13-12-28(24-36(33)56-2)50-21-16-27(17-22-50)51-19-6-7-29(53)25-51/h3-5,8-15,18,20,23-24,27,29,53H,6-7,16-17,19,21-22,25H2,1-2H3,(H,49,54)(H,45,46,47)/t29-/m0/s1
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| InChIKey |
CNCUAAFKKXICSP-LJAQVGFWSA-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