General Information of the Compound
| Compound ID |
CP0894026
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| Compound Name |
N-(2,6-difluorophenyl)-3-[3-(2-{[4-[(3S)-3-hydroxy-1,4'-bipiperidin-1'-yl]-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C41H40F2N8O3
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| Molecular Weight |
730.82
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| Canonical SMILES |
COc1cc(N2CCC(N3CCC[C@H](O)C3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C41H40F2N8O3/c1-54-35-24-29(49-21-16-28(17-22-49)50-19-6-9-30(52)25-50)13-14-33(35)45-41-44-18-15-34(46-41)39-37(47-36-12-2-3-20-51(36)39)26-7-4-8-27(23-26)40(53)48-38-31(42)10-5-11-32(38)43/h2-5,7-8,10-15,18,20,23-24,28,30,52H,6,9,16-17,19,21-22,25H2,1H3,(H,48,53)(H,44,45,46)/t30-/m0/s1
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| InChIKey |
JPRKDTOUWLIIBS-PMERELPUSA-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