General Information of the Compound
| Compound ID |
CP0873428
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| Compound Name |
N-(2,6-difluorophenyl)-3-[3-(2-{[4-[(3S)-3-hydroxyl-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 |
C36H31F2N7O3
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| Molecular Weight |
647.686
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| Canonical SMILES |
COc1cc(N2CCC[C@H](O)C2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C36H31F2N7O3/c1-48-30-20-24(44-17-6-9-25(46)21-44)13-14-28(30)40-36-39-16-15-29(41-36)34-32(42-31-12-2-3-18-45(31)34)22-7-4-8-23(19-22)35(47)43-33-26(37)10-5-11-27(33)38/h2-5,7-8,10-16,18-20,25,46H,6,9,17,21H2,1H3,(H,43,47)(H,39,40,41)/t25-/m0/s1
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| InChIKey |
ASBGJVNBZBSENK-VWLOTQADSA-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