General Information of the Compound
| Compound ID |
CP0863036
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| Compound Name |
N-(2,6-difluorophenyL)-3-[8-methyl-3-(2-{[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)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3c(C)cccn23)n1
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| InChI |
InChI=1S/C44H47F2N9O4S/c1-29-7-6-18-55-41(39(50-42(29)55)30-8-4-9-31(27-30)43(56)51-40-34(45)10-5-11-35(40)46)37-14-17-47-44(49-37)48-36-13-12-33(28-38(36)59-2)53-19-15-32(16-20-53)54-23-21-52(22-24-54)25-26-60(3,57)58/h4-14,17-18,27-28,32H,15-16,19-26H2,1-3H3,(H,51,56)(H,47,48,49)
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| InChIKey |
AJKLLCRJAJIWSB-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