General Information of the Compound
| Compound ID |
CP0509039
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| Compound Name |
N-(2,6-difluorophenyl)-3-[3-[2-[4-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C36H31F2N7O2
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| Molecular Weight |
631.687
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| Canonical SMILES |
Fc1cccc(F)c1NC(=O)c1cccc(c1)-c1nc2ccccn2c1-c1ccnc(Nc2ccc(CCN3CCOCC3)cc2)n1
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| InChI |
InChI=1S/C36H31F2N7O2/c37-28-7-4-8-29(38)33(28)43-35(46)26-6-3-5-25(23-26)32-34(45-17-2-1-9-31(45)42-32)30-14-16-39-36(41-30)40-27-12-10-24(11-13-27)15-18-44-19-21-47-22-20-44/h1-14,16-17,23H,15,18-22H2,(H,43,46)(H,39,40,41)
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| InChIKey |
CBGHWZUASDJEQB-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