General Information of the Compound
| Compound ID |
CP0866983
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| Compound Name |
N-(2,6-difluorophenyl)-3-[3-(2-{[5-methyl-2-(methyloxy)-4-(4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl}-1-piperidinyl)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C44H47F2N9O4S
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| Molecular Weight |
835.982
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| Canonical SMILES |
COc1cc(N2CCC(N3CCN(CCS(C)(=O)=O)CC3)CC2)c(C)cc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C44H47F2N9O4S/c1-29-26-36(38(59-2)28-37(29)54-18-14-32(15-19-54)53-22-20-52(21-23-53)24-25-60(3,57)58)49-44-47-16-13-35(48-44)42-40(50-39-12-4-5-17-55(39)42)30-8-6-9-31(27-30)43(56)51-41-33(45)10-7-11-34(41)46/h4-13,16-17,26-28,32H,14-15,18-25H2,1-3H3,(H,51,56)(H,47,48,49)
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| InChIKey |
RTSXEVUMIHTTTL-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