General Information of the Compound
| Compound ID |
CP0445447
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| Compound Name |
ethyl 3-[[[2-[[1-(2-azidoethyl)triazol-4-yl]methylamino]-2-oxoethyl]-benzylamino]methyl]-8-[(2,6-difluorophenyl)methyl]-2-[4-(ethylcarbamoylamino)phenyl]-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
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| Structure |
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| Formula |
C40H41F2N13O5
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| Molecular Weight |
821.85
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n2c1CN(CC(=O)NCc1cn(CCN=[N+]=[N-])nn1)Cc1ccccc1
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| InChI |
InChI=1S/C40H41F2N13O5/c1-3-44-39(59)47-28-15-13-27(14-16-28)36-34(55-37(57)31(38(58)60-4-2)23-53(40(55)48-36)22-30-32(41)11-8-12-33(30)42)24-52(20-26-9-6-5-7-10-26)25-35(56)45-19-29-21-54(51-49-29)18-17-46-50-43/h5-16,21,23H,3-4,17-20,22,24-25H2,1-2H3,(H,45,56)(H2,44,47,59)
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| InChIKey |
AQDPYVQQMJYHEB-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