General Information of the Compound
| Compound ID |
CP0895691
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| Compound Name |
N-(2,6-difluorophenyl)-5-[7-fluoro-3-(2-{[4-{4-[4-(2-fluoroethyl)-1-piperazinyl]-1-piperidinyl}-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-2-(methyloxy)benzamide
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| Structure |
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| Formula |
C43H43F4N9O3
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| Molecular Weight |
809.869
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| Canonical SMILES |
COc1cc(N2CCC(N3CCN(CCF)CC3)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3cc(F)ccn23)n1
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| InChI |
InChI=1S/C43H43F4N9O3/c1-58-36-9-6-27(24-31(36)42(57)52-40-32(46)4-3-5-33(40)47)39-41(56-18-11-28(45)25-38(56)51-39)35-10-15-48-43(50-35)49-34-8-7-30(26-37(34)59-2)54-16-12-29(13-17-54)55-22-20-53(19-14-44)21-23-55/h3-11,15,18,24-26,29H,12-14,16-17,19-23H2,1-2H3,(H,52,57)(H,48,49,50)
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| InChIKey |
IUWRASKWUCUXOI-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