General Information of the Compound
| Compound ID |
CP0856496
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| Compound Name |
N-(2,6-difluorophenyl)-3-[3-(2-{[4-{4-[4-(2-fluoroethyl)-1-piperazinyl]-1-piperidin}-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C43H41F6N9O2
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| Molecular Weight |
829.85
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| Canonical SMILES |
COc1cc(N2CCC(N3CCN(CCF)CC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3cc(C(F)(F)F)ccn23)n1
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| InChI |
InChI=1S/C43H41F6N9O2/c1-60-36-26-31(56-16-12-30(13-17-56)57-22-20-55(19-14-44)21-23-57)8-9-34(36)51-42-50-15-10-35(52-42)40-38(53-37-25-29(43(47,48)49)11-18-58(37)40)27-4-2-5-28(24-27)41(59)54-39-32(45)6-3-7-33(39)46/h2-11,15,18,24-26,30H,12-14,16-17,19-23H2,1H3,(H,54,59)(H,50,51,52)
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| InChIKey |
AQHOUJHKKKWAJK-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