General Information of the Compound
| Compound ID |
CP0845780
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| Compound Name |
N-(2,6-difluorophenyl)-3-{3-[2-({4-(4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl}-1-piperidinyl)-2-[(2,2,2-trifluoroethyl)oxy]phenyl}amino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl}benzamide
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| Structure |
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| Formula |
C44H44F5N9O4S
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| Molecular Weight |
889.952
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| Canonical SMILES |
CS(=O)(=O)CCN1CCN(C2CCN(c3ccc(Nc4nccc(-c5c(-c6cccc(C(=O)Nc7c(F)cccc7F)c6)nc6ccccn56)n4)c(OCC(F)(F)F)c3)CC2)CC1
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| InChI |
InChI=1S/C44H44F5N9O4S/c1-63(60,61)25-24-55-20-22-57(23-21-55)31-14-18-56(19-15-31)32-11-12-35(37(27-32)62-28-44(47,48)49)51-43-50-16-13-36(52-43)41-39(53-38-10-2-3-17-58(38)41)29-6-4-7-30(26-29)42(59)54-40-33(45)8-5-9-34(40)46/h2-13,16-17,26-27,31H,14-15,18-25,28H2,1H3,(H,54,59)(H,50,51,52)
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| InChIKey |
VDXNZNRAXNGSEG-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