General Information of the Compound
| Compound ID |
CP0866984
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| Compound Name |
3-[3-(2-{[4-{4-[4-(2,2-difluoroethyl)-1-piperazinyl]-1-piperidinyl}-2-(ethyloxy)phenyl]-amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide
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| Structure |
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| Formula |
C43H43F4N9O2
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| Molecular Weight |
793.87
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| Canonical SMILES |
CCOc1cc(N2CCC(N3CCN(CC(F)F)CC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C43H43F4N9O2/c1-2-58-36-26-31(54-19-15-30(16-20-54)55-23-21-53(22-24-55)27-37(46)47)12-13-34(36)49-43-48-17-14-35(50-43)41-39(51-38-11-3-4-18-56(38)41)28-7-5-8-29(25-28)42(57)52-40-32(44)9-6-10-33(40)45/h3-14,17-18,25-26,30,37H,2,15-16,19-24,27H2,1H3,(H,52,57)(H,48,49,50)
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| InChIKey |
PYJDXWHQSYUUTM-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