General Information of the Compound
| Compound ID |
CP0464694
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| Compound Name |
ethyl 2-[4-[[1-(2-azidoethyl)triazol-4-yl]methylcarbamoylamino]phenyl]-3-[[benzyl(methyl)amino]methyl]-8-[(2,6-difluorophenyl)methyl]-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
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| Structure |
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| Formula |
C37H36F2N12O4
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| Molecular Weight |
750.771
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(NC(=O)NCc2cn(CCN=[N+]=[N-])nn2)cc1
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| InChI |
InChI=1S/C37H36F2N12O4/c1-3-55-35(53)29-22-49(21-28-30(38)10-7-11-31(28)39)37-44-33(32(51(37)34(29)52)23-48(2)19-24-8-5-4-6-9-24)25-12-14-26(15-13-25)43-36(54)41-18-27-20-50(47-45-27)17-16-42-46-40/h4-15,20,22H,3,16-19,21,23H2,1-2H3,(H2,41,43,54)
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| InChIKey |
JVDYYNSPWHINKQ-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