General Information of the Compound
| Compound ID |
CP0861201
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| Compound Name |
N-(2,6-difluorophenyl)-5-[3-(2-{[4-{(3S)-3-(1-methylethyl)-4-[2-(methylsulfonyl)ethyl]-1-piperazinyl}-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 |
C42H44F2N8O5S
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| Molecular Weight |
810.928
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| Canonical SMILES |
COc1cc(N2CCN(CCS(C)(=O)=O)[C@@H](C(C)C)C2)ccc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C42H44F2N8O5S/c1-26(2)34-25-51(20-19-50(34)21-22-58(5,54)55)28-13-14-32(36(24-28)57-4)46-42-45-17-16-33(47-42)40-38(48-37-11-6-7-18-52(37)40)27-12-15-35(56-3)29(23-27)41(53)49-39-30(43)9-8-10-31(39)44/h6-18,23-24,26,34H,19-22,25H2,1-5H3,(H,49,53)(H,45,46,47)/t34-/m1/s1
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| InChIKey |
WSTUGSWTIWQVKH-UUWRZZSWSA-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