General Information of the Compound
| Compound ID |
CP0902860
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| Compound Name |
3-[3-(2-{[5-chloro-2-(methyloxy)-4-(4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl}-1-piperidinyl)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-benzamide
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| Structure |
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| Formula |
C43H44ClF2N9O4S
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| Molecular Weight |
856.4
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| Canonical SMILES |
COc1cc(N2CCC(N3CCN(CCS(C)(=O)=O)CC3)CC2)c(Cl)cc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C43H44ClF2N9O4S/c1-59-37-27-36(54-17-13-30(14-18-54)53-21-19-52(20-22-53)23-24-60(2,57)58)31(44)26-35(37)49-43-47-15-12-34(48-43)41-39(50-38-11-3-4-16-55(38)41)28-7-5-8-29(25-28)42(56)51-40-32(45)9-6-10-33(40)46/h3-12,15-16,25-27,30H,13-14,17-24H2,1-2H3,(H,51,56)(H,47,48,49)
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| InChIKey |
OWXPLLYDGAJNSX-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