General Information of the Compound
| Compound ID |
CP0435772
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| Compound Name |
3-[[benzyl(methyl)amino]methyl]-8-[(2,6-difluorophenyl)methyl]-2-[4-(ethylcarbamoylamino)phenyl]-5-oxo-N-prop-2-ynylimidazo[1,2-a]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C35H33F2N7O3
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| Molecular Weight |
637.691
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)NCC#C)c(=O)n2c1CN(C)Cc1ccccc1
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| InChI |
InChI=1S/C35H33F2N7O3/c1-4-18-39-32(45)27-21-43(20-26-28(36)12-9-13-29(26)37)35-41-31(24-14-16-25(17-15-24)40-34(47)38-5-2)30(44(35)33(27)46)22-42(3)19-23-10-7-6-8-11-23/h1,6-17,21H,5,18-20,22H2,2-3H3,(H,39,45)(H2,38,40,47)
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| InChIKey |
WIIMOPLUSIGAGH-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