General Information of the Compound
| Compound ID |
CP0926153
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| Compound Name |
3-[3-(2-{[4-(1,4'-bipiperidin-1'-yl)-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-N-(2-chloro-4-fluorophenyl)benzamide
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| Structure |
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| Formula |
C41H40ClFN8O2
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| Molecular Weight |
731.276
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| Canonical SMILES |
COc1cc(N2CCC(N3CCCCC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4ccc(F)cc4Cl)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C41H40ClFN8O2/c1-53-36-26-31(50-22-16-30(17-23-50)49-19-4-2-5-20-49)12-14-34(36)46-41-44-18-15-35(47-41)39-38(48-37-10-3-6-21-51(37)39)27-8-7-9-28(24-27)40(52)45-33-13-11-29(43)25-32(33)42/h3,6-15,18,21,24-26,30H,2,4-5,16-17,19-20,22-23H2,1H3,(H,45,52)(H,44,46,47)
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| InChIKey |
BMTLGYPQYJNECV-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