General Information of the Compound
| Compound ID |
CP0895686
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| Compound Name |
N-(2,6-difluorophenyl)-3-[3-(2-{[4-{4-[(1S,4S)-5-(2-fluoroethyl)-2,5-diazabicyclo-[2.2.1]hept-2-yl]-1-piperidinyl}-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C43H42F3N9O2
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| Molecular Weight |
773.864
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| Canonical SMILES |
COc1cc(N2CCC(N3C[C@@H]4C[C@H]3CN4CCF)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C43H42F3N9O2/c1-57-37-24-30(52-19-14-29(15-20-52)55-26-31-23-32(55)25-53(31)21-16-44)11-12-35(37)48-43-47-17-13-36(49-43)41-39(50-38-10-2-3-18-54(38)41)27-6-4-7-28(22-27)42(56)51-40-33(45)8-5-9-34(40)46/h2-13,17-18,22,24,29,31-32H,14-16,19-21,23,25-26H2,1H3,(H,51,56)(H,47,48,49)/t31-,32-/m0/s1
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| InChIKey |
JSHHMGBBGGGHJH-ACHIHNKUSA-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