General Information of the Compound
| Compound ID |
CP0952419
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| Compound Name |
N-(2,4-difluorophenyl)-3-[3-{2-[(3-{[2-(dimethylamino)ethyl]oxy}phenyl)amino]-4-pyrimidinyl}-7-(methyloxy)imidazo[1,2-a]pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C35H31F2N7O3
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| Molecular Weight |
635.675
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| Canonical SMILES |
COc1ccn2c(-c3ccnc(Nc4cccc(OCCN(C)C)c4)n3)c(-c3cccc(C(=O)Nc4ccc(F)cc4F)c3)nc2c1
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| InChI |
InChI=1S/C35H31F2N7O3/c1-43(2)16-17-47-27-9-5-8-25(20-27)39-35-38-14-12-30(41-35)33-32(42-31-21-26(46-3)13-15-44(31)33)22-6-4-7-23(18-22)34(45)40-29-11-10-24(36)19-28(29)37/h4-15,18-21H,16-17H2,1-3H3,(H,40,45)(H,38,39,41)
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| InChIKey |
OEQAHCYBQYJMNG-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