General Information of the Compound
| Compound ID |
CP0856497
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| Compound Name |
N-(2,6-difluorophenyl)-3-(7-fluoro-3-(2-((2-(methyloxy)-4-(4-(4-(methylsulfonyl)-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 |
C41H40F3N9O4S
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| Molecular Weight |
811.891
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| Canonical SMILES |
COc1cc(N2CCC(N3CCN(S(C)(=O)=O)CC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3cc(F)ccn23)n1
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| InChI |
InChI=1S/C41H40F3N9O4S/c1-57-35-25-30(50-16-13-29(14-17-50)51-19-21-52(22-20-51)58(2,55)56)9-10-33(35)46-41-45-15-11-34(47-41)39-37(48-36-24-28(42)12-18-53(36)39)26-5-3-6-27(23-26)40(54)49-38-31(43)7-4-8-32(38)44/h3-12,15,18,23-25,29H,13-14,16-17,19-22H2,1-2H3,(H,49,54)(H,45,46,47)
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| InChIKey |
WEJYDRZQJWJEGQ-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