General Information of the Compound
| Compound ID |
CP0845779
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| Compound Name |
N-(2,6-difluorophenyl)-3-[3-(2-{[2-(ethyloxy)-4-(4-{4-[2-(methylsulfonyl)ethyl]-1-piperazin-yl}-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 |
CCOc1cc(N2CCC(N3CCN(CCS(C)(=O)=O)CC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C44H47F2N9O4S/c1-3-59-38-29-33(53-20-16-32(17-21-53)54-24-22-52(23-25-54)26-27-60(2,57)58)13-14-36(38)48-44-47-18-15-37(49-44)42-40(50-39-12-4-5-19-55(39)42)30-8-6-9-31(28-30)43(56)51-41-34(45)10-7-11-35(41)46/h4-15,18-19,28-29,32H,3,16-17,20-27H2,1-2H3,(H,51,56)(H,47,48,49)
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| InChIKey |
MJERNARJUQAGLR-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